Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515589 | CIF | C58.33 H50.67 S4 | P 1 21/c 1 | 27.556; 16.5467; 28.5253 90; 94.415; 90 | 12967.8 | Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin Shape-shifting in contorted dibenzotetrathienocoronenes Chemical Science, 2011, 2, 1480 |
| 1515590 | CIF | C68 H52 N4 S4 | P 1 21/c 1 | 13.742; 21.483; 17.611 90; 96.049; 90 | 5170.2 | Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin Shape-shifting in contorted dibenzotetrathienocoronenes Chemical Science, 2011, 2, 1480 |
| 1515591 | CIF | C310 H64 S4 | P 1 21/c 1 | 22.514; 19.373; 19.548 90; 108.901; 90 | 8066 | Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin Shape-shifting in contorted dibenzotetrathienocoronenes Chemical Science, 2011, 2, 1480 |
| 1515592 | CIF | C132 H202 N6 O6 S U2 | R -3 c :H | 17.249; 17.249; 81.989 90; 90; 120 | 21126 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515593 | CIF | C134 H192 N10 O6 S0.02 Se0.98 U2 | P -1 | 14.8605; 15.046; 17.8037 70.931; 81.732; 60.483 | 3273.3 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515594 | CIF | C130 H187 N2 O17 S U2 | P 1 21/c 1 | 22.837; 24.081; 25.25 90; 116.123; 90 | 12467.5 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515595 | CIF | C130 H187 N2 O17 Se U2 | P 1 21/c 1 | 22.7926; 24.1118; 25.319 90; 116.089; 90 | 12497 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515596 | CIF | C132 H192 N2 Na2 O18 S2 U2 | C 1 2/c 1 | 28.397; 17.161; 55.426 90; 103.778; 90 | 26233 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515597 | CIF | C132 H192 N2 Na2 O18 Se2 U2 | C 1 2/c 1 | 24.887; 21.404; 26.847 90; 110.322; 90 | 13411 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515598 | CIF | C134 H196 N2 Na2 O18.5 Te2 U2 | C 1 2/c 1 | 24.818; 21.454; 27.07 90; 110.585; 90 | 13493 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515599 | CIF | C123 H162 N3 O14 U2 | P -1 | 15.1722; 16.9264; 21.898 99.027; 100.16; 96.211 | 5413.2 | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten Activation of elemental S, Se and Te with uranium(iii): bridging U‒E‒U (E = S, Se) and diamond-core complexes U‒(E)2‒U (E = O, S, Se, Te) Chemical Science, 2011, 2, 1538 |
| 1515600 | CIF | C22 H20 Br N O5 S | P 21 21 21 | 10.3614; 11.1748; 18.7204 90; 90; 90 | 2167.6 | Gu, Qing; You, Shu-Li Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine Chemical Science, 2011, 2, 1519 |
| 1515601 | CIF | Ca2 F H7 Ir O7 | P 42/n c m :2 | 10.6331; 10.6331; 5.6597 90; 90; 90 | 639.9 | Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I. Structural variety in iridate oxides and hydroxides from hydrothermal synthesis Chemical Science, 2011, 2, 1573 |
| 1515602 | CIF | H8 Ir O8 Sr2 | P 1 21/c 1 | 5.9657; 10.9919; 6.0097 90; 112.903; 90 | 363.01 | Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I. Structural variety in iridate oxides and hydroxides from hydrothermal synthesis Chemical Science, 2011, 2, 1573 |
| 1515603 | CIF | C8 H22 Al N3 | P 1 21/n 1 | 8.7047; 15.6298; 9.3874 90; 115.922; 90 | 1148.68 | Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity Chemical Science, 2011, 2, 1554 |
| 1515604 | CIF | C12 H32 Al2 N2 | C 1 2/c 1 | 14.6013; 15.486; 8.6751 90; 122.28; 90 | 1658.4 | Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity Chemical Science, 2011, 2, 1554 |
| 1515605 | CIF | C12 H36 B3 N3 | P 65 | 19.5895; 19.5895; 31.1522 90; 90; 120 | 10353 | Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity Chemical Science, 2011, 2, 1554 |
| 1515606 | CIF | C37 H113 B4 N9 O Si12 | P 63 | 29.3467; 29.3467; 14.9405 90; 90; 120 | 11143.3 | Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity Chemical Science, 2011, 2, 1554 |
| 1515607 | CIF | C30 H38 O4 Si | P 1 21 1 | 9.7467; 14.1261; 20.0486 90; 95.845; 90 | 2746 | Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568 |
| 1515608 | CIF | C14 H20 O4 | P 21 21 21 | 7.2838; 9.555; 19.3652 90; 90; 90 | 1347.8 | Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568 |
| 1515609 | CIF | C13 H18 O3 | P 1 21/c 1 | 12.956; 8.4492; 11.2977 90; 90.405; 90 | 1236.7 | Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568 |
| 1515610 | CIF | C14 H22 O4 | P 21 21 21 | 6.16325; 11.2731; 18.7642 90; 90; 90 | 1303.72 | Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568 |
| 1515611 | CIF | C14 H20 O4 | P 21 21 21 | 6.14187; 11.3932; 18.2633 90; 90; 90 | 1277.98 | Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J. Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568 |
| 1515612 | CIF | C12 H154 N6 Na18 O165 Te8 W28 | P m m n :2 | 21.1146; 32.0756; 12.6836 90; 90; 90 | 8590.1 | Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties Chemical Science, 2011, 2, 1502 |
| 1515613 | CIF | H130 K24 O177 Te8 W28 | P 1 21/n 1 | 19.7207; 37.8627; 22.6396 90; 104.374; 90 | 16375.3 | Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties Chemical Science, 2011, 2, 1502 |
| 1515614 | CIF | H79 Na26 O152 Te9 W28 | P -1 | 19.3418; 21.0639; 22.8563 104.296; 91.843; 92.426 | 9006.8 | Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties Chemical Science, 2011, 2, 1502 |
| 1515615 | CIF | Cl H142 Na27 O186 Te9 W28 | C 1 2/m 1 | 32.5176; 20.937; 27.2721 90; 102.804; 90 | 18105.7 | Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties Chemical Science, 2011, 2, 1502 |
| 1515616 | CIF | H90 Na28 O163 Te10 W28 | C 1 2/c 1 | 34.873; 18.6557; 27.5438 90; 105.384; 90 | 17277.4 | Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties Chemical Science, 2011, 2, 1502 |
| 1515617 | CIF | C27 H20 O2 | P -1 | 8.5144; 8.9709; 13.415 92.829; 103.59; 102.048 | 968.8 | Kuzmanich, Gregory; Xue, Jiadan; Netto-Ferreira, José-Carlos; Scaiano, J. C.; Platz, Matthew; Garcia-Garibay, Miguel A. Steady state and transient kinetics in crystalline solids: the photochemistry of nanocrystalline 1,1,3-triphenyl-3-hydroxy-2-indanone Chemical Science, 2011, 2, 1497 |
| 1515618 | CIF | C19 H16 I N O3 | P 21 21 21 | 7.0652; 11.0639; 22.775 90; 90; 90 | 1780.29 | Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J. Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives Chemical Science, 2011, 2, 1487 |
| 1515619 | CIF | C16 H18 Cl N O2 Pd S | P 1 21/c 1 | 13.445; 9.4054; 14.8518 90; 117.218; 90 | 1670.14 | Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide Chemical Science, 2011, 2, 1822 |
| 1515620 | CIF | C20 H26 N O4.5 Pd S | P 1 21/c 1 | 13.1411; 18.9878; 8.625 90; 106.879; 90 | 2059.4 | Xu, Yun-He; Chok, Yew Keong; Loh, Teck-Peng Synthesis and characterization of a cyclic vinylpalladium(ii) complex: vinylpalladium species as the possible intermediate in the catalytic direct olefination reaction of enamide Chemical Science, 2011, 2, 1822 |
| 1515621 | CIF | C75 H86 N22 O23 | C 1 2/c 1 | 34.486; 11.34; 24.7183 90; 117.519; 90 | 8572.9 | Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin Tunable, shape-shifting capsule for dicarboxylates Chemical Science, 2011, 2, 1735 |
| 1515622 | CIF | C114 H178 N28 O22 | P -1 | 13.477; 15.019; 17.319 98.171; 109.671; 102.737 | 3129.2 | Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin Tunable, shape-shifting capsule for dicarboxylates Chemical Science, 2011, 2, 1735 |
| 1515623 | CIF | C84 H118 Cl6 N26 O19 | P -1 | 12.36; 14.699; 15.587 70.114; 82.103; 66.078 | 2434.2 | Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin Tunable, shape-shifting capsule for dicarboxylates Chemical Science, 2011, 2, 1735 |
| 1515624 | CIF | C154 H167 N6 O63.5 S10 | C 1 2/c 1 | 29.168; 27.741; 20.935 90; 114.17; 90 | 15455 | Guo, Dong-Sheng; Uzunova, Vanya D.; Su, Xin; Liu, Yu; Nau, Werner M. Operational calixarene-based fluorescent sensing systems for choline and acetylcholine and their application to enzymatic reactions Chemical Science, 2011, 2, 1722 |
| 1515625 | CIF | C90 H48 B6 Cl12 N12 O12 | R -3 c :H | 13.4133; 13.4133; 92.656 90; 90; 120 | 14437 | Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages Chemical Science, 2011, 2, 1719 |
| 1515626 | CIF | C114 H60 B6 Cl12 N12 O12 | P 63/m | 14.3139; 14.3139; 30.848 90; 90; 120 | 5473.6 | Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay Dative boron‒nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages Chemical Science, 2011, 2, 1719 |
| 1515627 | CIF | C108 H60 B6 Cl12 N12 O12 | R -3 c :H | 13.5162; 13.5162; 93.155 90; 90; 120 | 14738.3 | Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages Chemical Science, 2011, 2, 1719 |
| 1515628 | CIF | C144 H84 B6 Cl12 N12 O12 | R -3 c :H | 13.5417; 13.5417; 118.223 90; 90; 120 | 18775 | Icli, Burcak; Sheepwash, Erin; Riis-Johannessen, Thomas; Schenk, Kurt; Filinchuk, Yaroslav; Scopelliti, Rosario; Severin, Kay Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages Chemical Science, 2011, 2, 1719 |
| 1515629 | CIF | C22 H16 Cl2 | P 21 21 21 | 6.24573; 7.2874; 37.2516 90; 90; 90 | 1695.51 | Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes Chemical Science, 2011, 2, 1850 |
| 1515630 | CIF | C30 H21 Cl3 | R 3 c :H | 24.8014; 24.8014; 6.835 90; 90; 120 | 3641 | Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes Chemical Science, 2011, 2, 1850 |
| 1515631 | CIF | C132 H180 Cl12 Co8 N72 O4 | P a -3 | 25.1026; 25.1026; 25.1026 90; 90; 90 | 15818.2 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515632 | CIF | C132 H156 Br12 Co8 N72 O18 | P 1 21/n 1 | 17.758; 19.38; 24.772 90; 90.257; 90 | 8525 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515633 | CIF | C138 H156 Cl16 Co10 N72 O11.5 S3 | C 1 2/m 1 | 28.55; 22.5268; 19.4189 90; 131.977; 90 | 9284.5 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515634 | CIF | C132 H156 Co8 N84 O58.5 | P 1 21/n 1 | 20.155; 19.422; 22.792 90; 90.221; 90 | 8922 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515635 | CIF | C138 H178 B12 Co8 F48 N74 O16.75 | C 1 2/c 1 | 31.693; 20.047; 32.309 90; 109.5; 90 | 19350 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515636 | CIF | C132 H168 Cl12 Co8 N72 O40 | C 1 2/c 1 | 33.008; 19.253; 32.654 90; 116.116; 90 | 18633 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515637 | CIF | C56 H88 N32 Ni4 O16 | P b c a | 17.3775; 17.494; 24.6892 90; 90; 90 | 7505.6 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
| 1515638 | CIF | C14 H22 Cd N8 O4 | P 1 21/n 1 | 12.909; 12.071; 12.95 90; 115.858; 90 | 1815.9 | Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science, 2011, 2, 1695 |
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