#featuredstructurefriday search results
We’re honouring the late George Sheldrick, whose SHELX suite revolutionized crystal structure determination. His earliest structure in the CSD: a mercury-cobalt carbonyl complex (1968). 🔗 CSD Entry FUYNAO: ccdc-info.com/4hXHcNQ #FeaturedStructureFriday #Crystallography
Hot off the press! The first single crystal structure of capsaicin, the spicy compound found in chilli peppers, has been reported in @ActaCrystC.🌶️ 🔗 CSD Entry FABVAF02: ccdc-info.com/4i4vTCH #FeaturedStructureFriday #Crystallography
A new class of entangled nanocarbons obtained via dynamic C–C bond formation is reported in @J_A_C_S. CSD Entry HUTVOL showcases these perplexanes in a fully covalent, interwoven, and interlocked manner. 🔗 ccdc-info.com/443FMeM #FeaturedStructureFriday
The first free N-heterocyclic carbene (NHC) stable in liquid water is reported in @ScienceMagazine. CSD Entry SUZJEG reveals how steric shielding from chlorinated carborane clusters protects the reactive carbene centre. 🔗 ccdc-info.com/4kEJdiP #FeaturedStructureFriday
A range of metal-centred planar [15]annulenes (@Nature). In the D5h symmetric structure, the osmium ion is within the same plane as the annulene ligand and involved in the structure’s aromaticity. 🔗 CSD Entry QUQRED: ccdc-info.com/43nWLrU #FeaturedStructureFriday
The first combined solid and solution state analysis of a sigma alkane complex has been reported in @angew_chem by the @KrossingGroup. CSD entry FUZZEJ contains the first sigma alkane complex to be crystallized from solution. 🔗ccdc-info.com/3TbaoG4 #FeaturedStructureFriday
The synthesis and characterization of two-coordinate beryllium complexes with unprecedented Be–N and Be–O triple bonds are reported in @J_A_C_S. CSD Entry WUYMIQ demonstrates the first s-block metal–oxygen multiple bond. 🔗 ccdc-info.com/4iYfbVX #FeaturedStructureFriday
A rare Mg–Yb complex that exemplifies s-block metal-Ln interactions is reported in @J_A_C_S. CSD Entry NUQJES confirms major electrostatic Mg0-M2+ bonding and establishes that Yb can act as a 3-electron reductant. 🔗 ccdc-info.com/3E9ypJX #FeaturedStructureFriday
From @acboggiano, @f_orbitals, and co-workers, the first crystal structures of Pr(v) complexes. The 5+ state was achieved through oxidation of the tetravalent imidophosphorane complex. 🔗 CSD Entry TUNXOT: ccdc-info.com/4je9YdB #FeaturedStructureFriday @NatureChemistry
Tripodal silanolate ligands are reported in @J_A_C_S, whose use led to the discovery of the first pair of Mo(III) complexes for which both monomers [MoX3] and metal-metal bonded dimers [X3Mo≡MoX3] exist. 🔗 CSD Entry TUSROS: ccdc-info.com/42Ttzdf. #FeaturedStructureFriday
From @SoGroup_NTU, a carbene-stabilized four-membered silicon(0) cluster. Formed via reduction of carbene-SiCl4, the cluster is a source of silicon through fragmentation and isomerization reactions. 🔗CSD Entry VUZYOI: ccdc-info.com/4kXXKWN #FeaturedStructureFriday @J_A_C_S
An in crystallo Wolff rearrangement has been reported by @schneider_lab in @J_A_C_S. Crystal matrix isolation enabled characterization of a Wolff metallocarbene intermediate (a component of CSD entry CUMVIT). 🔗 ccdc-info.com/420q6cq #FeaturedStructureFriday
A series of Ni(0) complexes featuring monodentate boron-based Z-type ligands are reported in @J_A_C_S. CSD Entry RUCQIT reveals a square-planar geometry stabilized by a Ni–B bond with mixed covalent/dative character. 🔗ccdc-info.com/41n5869 #FeaturedStructureFriday
Researchers from @LabBraunschweig have reported alkali metal salts of 1,2,3-benzodiazaborines in @ChemicalScience. These salts provide a route to late-stage N-functionalization of isoquinoline isoteres. 🔗 CSD Entry MURNOG: ccdc-info.com/45d4xHA. #FeaturedStructureFriday
From @LabBraunschweig and @maxi_michel_, the first boron-carbon triple bond (@NatureSynthesis). As well as isolating the neutral uncoordinated boryne, the molecule was also demonstrated as a pi ligand. 🔗 CSD Entry BUSWIZ: ccdc-info.com/41En5gC #FeaturedStructureFriday
The synthesis of three N-heterocyclic carbene phosphinidene (NHCP) substituted chlorotetrylene dimers is reported in @angew_chem. CSD Entry XUWVIY reveals the shortest P–Pb bond in a two‐coordinate system. 🔗 ccdc-info.com/3E22pqU #FeaturedStructureFriday
From @YangjianQUAN, a route to a range of strained, air-stable boracycles. Like larger rings, less common, strained four-membered boracycles are prepared by photochemical cyclization. 🔗CSD Entry WUSDIB: ccdc-info.com/42LhYvq #FeaturedStructureFriday @NatureChemistry
Evidence reported in @angew_chem suggests that in high-valent W-oxo bis(dithiolene) complexes, the dithiolene-S site can engage in hydrogen bonding with a proton source, acting as a proton relay. 🔗CSD entry JUVNUN: ccdc-info.com/4k4ERRe #FeaturedStructureFriday
A one-step synthesis for unsymmetrical perarylated borirenes using boroles and diynes is reported in @angew_chem. CSD Entry CUHYIR confirms the formation of a three-membered boracycle stabilized by π-delocalization. 🔗ccdc-info.com/4jPTJ7j #FeaturedStructureFriday
Researchers at @GhoshLaB_IITM have reported the first closo-titanaboranes having bridging hydrides in @ChemCommun. Ti…Ti interactions play a pivotal role in defining their shapes and electron counts. 🔗 CSD Entry CUKHID: ccdc-info.com/4b5smCe #FeaturedStructureFriday
Evidence reported in @angew_chem suggests that in high-valent W-oxo bis(dithiolene) complexes, the dithiolene-S site can engage in hydrogen bonding with a proton source, acting as a proton relay. 🔗CSD entry JUVNUN: ccdc-info.com/4k4ERRe #FeaturedStructureFriday
A new class of entangled nanocarbons obtained via dynamic C–C bond formation is reported in @J_A_C_S. CSD Entry HUTVOL showcases these perplexanes in a fully covalent, interwoven, and interlocked manner. 🔗 ccdc-info.com/443FMeM #FeaturedStructureFriday
From @SoGroup_NTU, a carbene-stabilized four-membered silicon(0) cluster. Formed via reduction of carbene-SiCl4, the cluster is a source of silicon through fragmentation and isomerization reactions. 🔗CSD Entry VUZYOI: ccdc-info.com/4kXXKWN #FeaturedStructureFriday @J_A_C_S
The first combined solid and solution state analysis of a sigma alkane complex has been reported in @angew_chem by the @KrossingGroup. CSD entry FUZZEJ contains the first sigma alkane complex to be crystallized from solution. 🔗ccdc-info.com/3TbaoG4 #FeaturedStructureFriday
The first free N-heterocyclic carbene (NHC) stable in liquid water is reported in @ScienceMagazine. CSD Entry SUZJEG reveals how steric shielding from chlorinated carborane clusters protects the reactive carbene centre. 🔗 ccdc-info.com/4kEJdiP #FeaturedStructureFriday
A range of metal-centred planar [15]annulenes (@Nature). In the D5h symmetric structure, the osmium ion is within the same plane as the annulene ligand and involved in the structure’s aromaticity. 🔗 CSD Entry QUQRED: ccdc-info.com/43nWLrU #FeaturedStructureFriday
Researchers from @LabBraunschweig have reported alkali metal salts of 1,2,3-benzodiazaborines in @ChemicalScience. These salts provide a route to late-stage N-functionalization of isoquinoline isoteres. 🔗 CSD Entry MURNOG: ccdc-info.com/45d4xHA. #FeaturedStructureFriday
The synthesis and characterization of two-coordinate beryllium complexes with unprecedented Be–N and Be–O triple bonds are reported in @J_A_C_S. CSD Entry WUYMIQ demonstrates the first s-block metal–oxygen multiple bond. 🔗 ccdc-info.com/4iYfbVX #FeaturedStructureFriday
From @YangjianQUAN, a route to a range of strained, air-stable boracycles. Like larger rings, less common, strained four-membered boracycles are prepared by photochemical cyclization. 🔗CSD Entry WUSDIB: ccdc-info.com/42LhYvq #FeaturedStructureFriday @NatureChemistry
Tripodal silanolate ligands are reported in @J_A_C_S, whose use led to the discovery of the first pair of Mo(III) complexes for which both monomers [MoX3] and metal-metal bonded dimers [X3Mo≡MoX3] exist. 🔗 CSD Entry TUSROS: ccdc-info.com/42Ttzdf. #FeaturedStructureFriday
From @acboggiano, @f_orbitals, and co-workers, the first crystal structures of Pr(v) complexes. The 5+ state was achieved through oxidation of the tetravalent imidophosphorane complex. 🔗 CSD Entry TUNXOT: ccdc-info.com/4je9YdB #FeaturedStructureFriday @NatureChemistry
A rare Mg–Yb complex that exemplifies s-block metal-Ln interactions is reported in @J_A_C_S. CSD Entry NUQJES confirms major electrostatic Mg0-M2+ bonding and establishes that Yb can act as a 3-electron reductant. 🔗 ccdc-info.com/3E9ypJX #FeaturedStructureFriday
Hot off the press! The first single crystal structure of capsaicin, the spicy compound found in chilli peppers, has been reported in @ActaCrystC.🌶️ 🔗 CSD Entry FABVAF02: ccdc-info.com/4i4vTCH #FeaturedStructureFriday #Crystallography
The synthesis of three N-heterocyclic carbene phosphinidene (NHCP) substituted chlorotetrylene dimers is reported in @angew_chem. CSD Entry XUWVIY reveals the shortest P–Pb bond in a two‐coordinate system. 🔗 ccdc-info.com/3E22pqU #FeaturedStructureFriday
From @LabBraunschweig and @maxi_michel_, the first boron-carbon triple bond (@NatureSynthesis). As well as isolating the neutral uncoordinated boryne, the molecule was also demonstrated as a pi ligand. 🔗 CSD Entry BUSWIZ: ccdc-info.com/41En5gC #FeaturedStructureFriday
An in crystallo Wolff rearrangement has been reported by @schneider_lab in @J_A_C_S. Crystal matrix isolation enabled characterization of a Wolff metallocarbene intermediate (a component of CSD entry CUMVIT). 🔗 ccdc-info.com/420q6cq #FeaturedStructureFriday
A series of Ni(0) complexes featuring monodentate boron-based Z-type ligands are reported in @J_A_C_S. CSD Entry RUCQIT reveals a square-planar geometry stabilized by a Ni–B bond with mixed covalent/dative character. 🔗ccdc-info.com/41n5869 #FeaturedStructureFriday
We’re honouring the late George Sheldrick, whose SHELX suite revolutionized crystal structure determination. His earliest structure in the CSD: a mercury-cobalt carbonyl complex (1968). 🔗 CSD Entry FUYNAO: ccdc-info.com/4hXHcNQ #FeaturedStructureFriday #Crystallography
Researchers at @GhoshLaB_IITM have reported the first closo-titanaboranes having bridging hydrides in @ChemCommun. Ti…Ti interactions play a pivotal role in defining their shapes and electron counts. 🔗 CSD Entry CUKHID: ccdc-info.com/4b5smCe #FeaturedStructureFriday
A one-step synthesis for unsymmetrical perarylated borirenes using boroles and diynes is reported in @angew_chem. CSD Entry CUHYIR confirms the formation of a three-membered boracycle stabilized by π-delocalization. 🔗ccdc-info.com/4jPTJ7j #FeaturedStructureFriday
Reported by @ConradGoodwin and co-workers, this orange bent californium metallocene complex was prepared from just 2 mg of the metal and is the first example of a Cf-C bond in the CSD. @Nature #actinides #FeaturedStructureFriday CSD Entry: XANPEL, hubs.ly/Q01940K40
#FeaturedStructureFriday marks our final entry for #PrideMonth2022. @ProfArno at @BerkeleyLab and her colleagues @EdinburghChem showed that a uranium complex can catalyze the reduction of N2 to ammonia under ambient conditions. CSD Entry: JULXUM 10.5517/ccdc.csd.cc1zdw9k
This #FeaturedStructureFriday is for #PrideMonth2022. Martin Gouterman was an activist for gay rights, founding the Dorian Society in Seattle. He was also an incredible scientist, whose four-orbital model helped our understanding of porphyrin rings such as CSD entry RHETPR10
🔔Ready for the #CSDChallenge? Use WebCSD Structure Search to find the molecule with the greatest Tanimoto similarity to UPOBAD. The first person to answer correctly in the thread wins the chance to have a structure of their choice highlighted in #FeaturedStructureFriday.
Carrying on #CatalysisWeek, this #FeaturedStructureFriday highlights the work of @nottylerpabst and @pchirik in @J_A_C_S. This inexpensive cobalt(i) pre-catalyst enabled the meta-selective borylation of a range of fluoroarenes. CSD Entry SEHBIU, hubs.ly/Q01cdwLC0
This week we’re supporting #MentalHealthAwarenessWeek and the theme of loneliness. This #FeaturedStructureFriday is demoxytocin, a synthetic analogue of oxytocin and a "happiness hormone" associated with social bonding. CSD Entry DUPFAV, hubs.ly/Q01b1r-f0
A new porous organic crystal that reversibly absorbs water at temperatures as low as −70 °C was reported by @Barbour_Group. CSD entry BIJLIT is a chromogenic crystal that changes from yellow to red upon water absorption. #FeaturedStructureFriday 🔗hubs.ly/Q01-whbj0
Cyclic nanometre-scale sandwich complexes have been synthesized by the @AkRoesky group. Reported in @Nature, CSD entry VIMHAE consists of an octadecanuclear ring of Eu(ii) centres bridged by substituted Cot2− ligands. 🔗hubs.ly/Q0224wlX0 #FeaturedStructureFriday
#FeaturedStructureFriday #Fenpyrazamine fungicide @duyquang_dao @JFaustDoesChem Most stable conformer found at this stage !! #compchem #atmoschem #AcademicTwitter
The first example of a planar, T-shaped group 14 anion has been reported in @ChemicalScience. The triaminogermanate crystallizes with a [K(THF)3]+ counterion (not shown) but displays no formal Ge…K interaction. #FeaturedStructureFriday CSD entry XIGNOU hubs.ly/Q01Qc1cZ0
This thulium(iii) complex from @ThomasSmlr @GregNocton forms through the selective reductive dimerisation of CO. It is also amenable to further reactivity with CO and CO2 to give a range of C3-C6 products. #FeaturedStructureFriday. CSD Entry YEBDIW. hubs.ly/Q01hhBxw0
Reported by @JacobsenLab (🔎ccdc-info.com/43G8Vfp), a chiral Lewis acidic amide-boronate-potassium complex, CSD Entry TONZIJ, is highly enantioselective in Wittig olefination reactions. 🔗ccdc-info.com/43SlJQd @J_A_C_S #FeaturedStructureFriday #Crystallography
Going for gold, today’s #FeaturedStructureFriday is a gold-silver nanocluster. Like in a gold Olympic medal, there is more silver in this cluster than gold! In fact, a gold medal only contains around 1% of gold. #Beijing2022 📝CSD Entry: UJIDIC 🔗hubs.ly/Q014nmGj0
K. Barry Sharpless @scrippsresearch collects his second #NobelPrize in Chemistry! This one is shared with @carolynbertozzi and Morten Meldal for the development of click chemistry and bioorthogonal chemistry. #FeaturedStructureFriday 📑CSD Entry: XAKNIK 🔗hubs.ly/Q01p5PQX0
This #FeaturedStructureFriday is for #PrideMonth2022. @CarolynBertozzi, @Stanford Professor of Chemistry, is the inventor of bioorthogonal chemistry, and an award-winning chemistry educator. CSD entry FIPCOX is an example of her work in chemical biology tool development.
🔔It's time for the #CSDChallenge! Use a WebCSD Structure Search to find the bioactivity of the molecule below. ⌛The first person to answer correctly in the thread wins the chance to have a structure of their choice highlighted in #FeaturedStructureFriday.
A series of stable π-conjugated P-heterocycles that contain an internal ylidic bond are reported with a large range of photonic applications. CSD Entry: VEPZAV shows a fully planar polyaromatic. #FeaturedStructureFriday #ChemTwitter 🔗hubs.ly/Q01vY-Cx0
Researchers @NorthwesternU synthesised phosphonate-based MOFs w/glyphosate linkers in an aqueous environment to facilitate rapid proton conduction! 🔗CSD Entry OJIMAY: hubs.ly/Q018DkNq0 💡@InorgChem article: hubs.ly/Q018DdgH0 #FeaturedStructureFriday #WaterWeek
The discovery of novel three-dimensional scaffolds with excellent optoelectronic properties was reported in @ChemEurope. CSD Entry: GIVGIF exhibits a unique molecular packing, which inhibits strong π−π stacking interactions. 🔗ccdc-info.com/3tXh9lx #FeaturedStructureFriday
From @MDSgroup_Oxford group and collaborators, configurationally stable chiral oxonium ions in which the O atom is the only stereogenic centre. This form was resolved from the racemic (CSD Entry HICBOO). #FeaturedStructureFriday CSD Entry HICBUU 🔗hubs.ly/Q01MbVR-0
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