Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1502353 | CIF | C10 H3 F6 O6 S2 | P -1 | 5.0041; 9.4388; 14.0451 101.515; 96.482; 97.466 | 637.91 | Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes Organic Letters, 2011, 13, 4506-4509 |
| 1502354 | CIF | C18 H6 Br2 F6 O6 S2 | P -1 | 10.9121; 13.4556; 21.4689 101.749; 92.3718; 92.6724 | 3078.67 | Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes Organic Letters, 2011, 13, 4506-4509 |
| 1502355 | CIF | C48 H50 S4 | P -1 | 9.5284; 14.0861; 16.0076 71.062; 88.429; 80.284 | 2002.2 | Zöphel, Lukas; Enkelmann, Volker; Rieger, Ralph; Müllen, Klaus Saddle Shaped Hexaaryl[a,c,fg,j,l,op]tetracenes from 4,5,9,10-Tetrafunctionalized Pyrenes Organic Letters, 2011, 13, 4506-4509 |
| 1502356 | CIF | C21 H18 N2 O3 | P 21 c a | 6.6296; 11.8971; 23.4759 90; 90; 90 | 1851.6 | Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor. Organic letters, 2011, 13, 4510-4513 |
| 1502357 | CIF | C30 H23 N3 O2 S | P -1 | 10.497; 10.773; 12.762 104.976; 109.023; 107.143 | 1199.2 | Li, Shaoyu; Luo, Yong; Wu, Jie Three-component reaction of N'-(2-alkynylbenzylidene)hydrazide, alkyne, with sulfonyl azide via a multicatalytic process: a novel and concise approach to 2-amino-H-pyrazolo[5,1-a]isoquinolines. Organic letters, 2011, 13, 4312-4315 |
| 1502358 | CIF | C28 H20 O | P -1 | 8.3369; 10.0978; 12.2085 79.814; 84.022; 74.014 | 970.78 | Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L. Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans. Organic letters, 2011, 13, 4316-4319 |
| 1502359 | CIF | C31 H31 O4 | P 1 21/c 1 | 11.1319; 17.695; 13.8306 90; 113.704; 90 | 2494.5 | Wang, Hengbin; Denton, Justin R.; Davies, Huw M. L. Sequential rhodium-, silver-, and gold-catalyzed synthesis of fused dihydrofurans. Organic letters, 2011, 13, 4316-4319 |
| 1502360 | CIF | C18 H21 N O2 | P 1 21/c 1 | 12.6439; 9.4682; 12.7332 90; 90.963; 90 | 1524.14 | Fañanás, Francisco J; Arto, Tamara; Mendoza, Abraham; Rodríguez, Félix Synthesis of 2,5-dihydropyridine derivatives by gold-catalyzed reactions of β-ketoesters and propargylamines. Organic letters, 2011, 13, 4184-4187 |
| 1502361 | CIF | C44 H34.5 N1.5 O4 | C 1 2/c 1 | 34.5471; 10.8695; 20.1542 90; 117.093; 90 | 6737.6 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502362 | CIF | C43 H32 N2 O5 | P 1 21/n 1 | 9.9283; 29.9924; 11.1441 90; 107.54; 90 | 3164.1 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502363 | CIF | C16 H15 N O3 | P 21 21 21 | 10.1874; 10.7672; 11.9335 90; 90; 90 | 1308.98 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502364 | CIF | C45 H36 N2 O5 | P 1 21/n 1 | 9.6496; 21.2791; 17.3549 90; 92.255; 90 | 3560.8 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502365 | CIF | C34 H29 N O6 | P -1 | 8.293; 11.2021; 16.2621 81.447; 75.918; 70.351 | 1376.3 | Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D. A molecular balance for measuring aliphatic CH-π interactions. Organic letters, 2011, 13, 4320-4323 |
| 1502366 | CIF | C24 H18 N2 | P -1 | 10.102; 10.247; 10.715 67.098; 63.868; 77.085 | 915.5 | Wang, Wen; Shen, Yongwen; Meng, Xu; Zhao, Mingming; Chen, Yongxin; Chen, Baohua Copper-catalyzed synthesis of quinoxalines with o-phenylenediamine and terminal alkyne in the presence of bases. Organic letters, 2011, 13, 4514-4517 |
| 1502367 | CIF | C23 H23 Br I N O4 | P -1 | 8.7653; 11.1641; 12.7663 70.5552; 70.5023; 89.8715 | 1102.1 | Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles. Organic letters, 2011, 13, 4324-4327 |
| 1502368 | CIF | C20 H19 Br I N O4 | P -1 | 8.2215; 9.6598; 13.0019 88.038; 75.417; 87.053 | 997.76 | Lubriks, Dmitrijs; Sokolovs, Igors; Suna, Edgars Iodonium salts are key intermediates in Pd-catalyzed acetoxylation of pyrroles. Organic letters, 2011, 13, 4324-4327 |
| 1502369 | CIF | C23 H24 N2 O2 | P 1 21/c 1 | 12.589; 9.3093; 18.3114 90; 105.36; 90 | 2069.35 | Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean 1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles. Organic letters, 2011, 13, 4124-4127 |
| 1502370 | CIF | C24 H25 N3 O3 | P 1 21/n 1 | 13.4677; 11.5567; 13.588 90; 91.659; 90 | 2113.98 | Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean 1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles. Organic letters, 2011, 13, 4124-4127 |
| 1502371 | CIF | C22 H24 N2 O2 | P 1 21/n 1 | 10.7346; 9.4995; 18.7661 90; 95.215; 90 | 1905.72 | Presset, Marc; Mohanan, Kishor; Hamann, Marie; Coquerel, Yoann; Rodriguez, Jean 1,3-Dipolar cycloaddition of hydrazones with α-oxo-ketenes: a three-component stereoselective entry to pyrazolidinones and an original class of spirooxindoles. Organic letters, 2011, 13, 4124-4127 |
| 1502372 | CIF | C29 H29 N O2 S2 | P 1 21 1 | 11.6527; 9.7093; 12.4847 90; 110.86; 90 | 1319.9 | Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group. Organic letters, 2011, 13, 4534-4537 |
| 1502373 | CIF | C30 H28 N2 O5 S2 | P 1 21 1 | 9.403; 10.746; 14.25 90; 98.438; 90 | 1424.3 | Arroyo, Yolanda; Sanz-Tejedor, M Ascensión; Alonso, Inés; García-Ruano, José L Synthesis of optically pure vic-sulfanyl amines mediated by a remote sulfinyl group. Organic letters, 2011, 13, 4534-4537 |
| 1502374 | CIF | C18 H25 N O S | P 61 | 8.3672; 8.3672; 41.378 90; 90; 120 | 2508.8 | Collett, Nathan D.; Carter, Rich G. Stereoselective synthesis of the eastern quinolizidine portion of himeradine A. Organic letters, 2011, 13, 4144-4147 |
| 1502375 | CIF | C15 H14 O4 | P 21 21 21 | 7.1044; 9.9689; 17.0887 90; 90; 90 | 1210.27 | Zhu, Xi; Lin, Aijun; Shi, Yan; Guo, Jingyu; Zhu, Chengjian; Cheng, Yixiang Enantioselective synthesis of polycyclic coumarin derivatives catalyzed by an in situ formed primary amine-imine catalyst. Organic letters, 2011, 13, 4382-4385 |
| 1502376 | CIF | C34 H32 Fe2 N6 | P -1 | 7.4994; 10.5825; 18.5973 74.566; 88.478; 87.88 | 1421.5 | Cao, Qian-Yong; Pradhan, Tuhin; Kim, Sungtae; Kim, Jong Seung Ferrocene-appended aryl triazole for electrochemical recognition of phosphate ions. Organic letters, 2011, 13, 4386-4389 |
| 1502377 | CIF | C42 H57 N3 O S Zr | P 1 21/c 1 | 20.685; 9.8517; 20.938 90; 94.334; 90 | 4254.6 | Wang, Xinke; Chen, Zhou; Sun, Xiu-Li; Tang, Yong; Xie, Zuowei Intramolecular hydroamination of aminoalkenes catalyzed by a cationic zirconium complex. Organic letters, 2011, 13, 4758-4761 |
| 1502378 | CIF | C16 H19 Br N2 O2 | P n a 21 | 9.8637; 7.3755; 21.361 90; 90; 90 | 1554 | Granger, Brett A.; Kaneda, Kyosuke; Martin, Stephen F. Multicomponent assembly strategies for the synthesis of diverse tetrahydroisoquinoline scaffolds. Organic letters, 2011, 13, 4542-4545 |
| 1502379 | CIF | C11 H10 Br2 N4 O2 | P b c a | 14.934; 9.5657; 17.7739 90; 90; 90 | 2539.08 | Hewlett, Nicole M.; Tepe, Jetze J. Total synthesis of the natural product (±)-dibromophakellin and analogues. Organic letters, 2011, 13, 4550-4553 |
| 1502380 | CIF | C25 H29 N O4 | P 21 21 21 | 5.8701; 13.7261; 26.946 90; 90; 90 | 2171.1 | Buchanan, Grant S.; Dai, Huifang; Hsung, Richard P.; Gerasyuto, Aleksey I.; Scheinebeck, Casi M. Asymmetric aza-[3+3] annulation in the synthesis of indolizidines: an unexpected reversal of regiochemistry. Organic letters, 2011, 13, 4402-4405 |
| 1502381 | CIF | C27 H51 N O3 Si | P -1 | 10.2256; 10.8683; 15.1033 92.681; 108.486; 110.798 | 1463.9 | Lapointe, Guillaume; Schenk, Kurt; Renaud, Philippe Total synthesis of (±)-cylindricine C. Organic letters, 2011, 13, 4774-4777 |
| 1502382 | CIF | C14 H14 O3 | P 1 21/c 1 | 10.891; 6.4637; 16.503 90; 101.84; 90 | 1137 | Tseng, Chih-Chung; Ding, Hanfeng; Li, Ang; Guan, Yucui; Chen, David Y.-K. A modular synthesis of salvileucalin B structural domains. Organic letters, 2011, 13, 4410-4413 |
| 1502383 | CIF | C33 H39 N O4 S2 | P 21 21 21 | 10.1866; 13.017; 22.877 90; 90; 90 | 3033.5 | Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization. Organic letters, 2011, 13, 4414-4417 |
| 1502384 | CIF | C33 H39 N O4 S2 | P 21 21 21 | 8.7786; 14.075; 24.58 90; 90; 90 | 3037.1 | Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization. Organic letters, 2011, 13, 4414-4417 |
| 1502385 | CIF | C30 H35 N O5 | P 1 21 1 | 13.347; 5.152; 19.349 90; 97.644; 90 | 1318.7 | Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization. Organic letters, 2011, 13, 4414-4417 |
| 1502386 | CIF | C32 H39 N O6 | P 1 21 1 | 12.634; 8.8253; 14.418 90; 115.1; 90 | 1455.8 | Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization. Organic letters, 2011, 13, 4414-4417 |
| 1502387 | CIF | C14 H13 N3 | P b c a | 12.771; 9.914; 18.545 90; 90; 90 | 2348 | Shen, Hao; Wang, Yang; Xie, Zuowei Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides. Organic letters, 2011, 13, 4562-4565 |
| 1502388 | CIF | C28 H21 N3 | P -1 | 9.8597; 10.9565; 11.4297 109.843; 96.118; 111.059 | 1046.46 | Shen, Hao; Wang, Yang; Xie, Zuowei Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides. Organic letters, 2011, 13, 4562-4565 |
| 1502389 | CIF | C17 H24 O4 | P 1 21/c 1 | 12.9716; 10.05307; 12.4057 90; 114.727; 90 | 1469.43 | Urabe, Daisuke; Yamaguchi, Hiroki; Inoue, Masayuki Application of α-alkoxy bridgehead radical for coupling of oxygenated carbocycles. Organic letters, 2011, 13, 4778-4781 |
| 1502390 | CIF | C16 H18 N2 O3 | P 1 21/c 1 | 19.947; 13.3646; 11.2796 90; 105.507; 90 | 2897.5 | Goldberg, Alexander F. G.; Stoltz, Brian M. A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids. Organic letters, 2011, 13, 4474-4476 |
| 1502391 | CIF | C16 H18 N2 O3 | P -1 | 7.6777; 9.1864; 10.8584 71.309; 69.829; 75.759 | 673.01 | Goldberg, Alexander F. G.; Stoltz, Brian M. A palladium-catalyzed vinylcyclopropane (3+2) cycloaddition approach to the Melodinus alkaloids. Organic letters, 2011, 13, 4474-4476 |
| 1502392 | CIF | C21 H23 N3 O5 | P 1 21 1 | 11.0839; 7.5405; 12.2852 90; 106.18; 90 | 986.1 | Morris, Erin N.; Nenninger, E. Katherine; Pike, Robert D.; Scheerer, Jonathan R. Diels-Alder cycloaddition of chiral nonracemic 2,5-diketopiperazine dienes. Organic letters, 2011, 13, 4430-4433 |
| 1502393 | CIF | C26 H25 N O7 S | P 21 21 21 | 8.6914; 12.794; 22.586 90; 90; 90 | 2511.5 | Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones. Organic letters, 2011, 13, 4584-4587 |
| 1502394 | CIF | C27 H23 Br N2 O7 | P 1 21 1 | 9.412; 9.97; 13.453 90; 93.383; 90 | 1260.2 | Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones. Organic letters, 2011, 13, 4584-4587 |
| 1502395 | CIF | C27 H27 N O7 S | P 1 21 1 | 9.04; 13.448; 10.514 90; 93.69; 90 | 1275.5 | Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones. Organic letters, 2011, 13, 4584-4587 |
| 1502396 | CIF | C23 H13 Cl N2 O5 | P 1 21/c 1 | 8.672; 11.45; 18.265 90; 95.833; 90 | 1804.2 | Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure. Organic letters, 2011, 13, 4588-4591 |
| 1502397 | CIF | C23 H13 Cl N2 O5 | P 1 21/c 1 | 18.4007; 5.1306; 17.9799 90; 92.708; 90 | 1695.53 | Chou, Teh-Chang; Lin, Kuen-Cheng; Kon-no, Masaru; Lee, Chih-Ching; Shinmyozu, Teruo Quinoxaline-embedded polyacenoquinone esters: synthesis, electronic properties, and crystal structure. Organic letters, 2011, 13, 4588-4591 |
| 1502398 | CIF | C22 H15 Br2 N O | P 1 21/c 1 | 7.8071; 30.742; 8.1999 90; 103.408; 90 | 1914.4 | Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles. Organic letters, 2011, 13, 5024-5027 |
| 1502399 | CIF | C13 H12 Cl N O | P 21 21 21 | 8.14; 11.896; 12.943 90; 90; 90 | 1253.3 | Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles. Organic letters, 2011, 13, 5024-5027 |
| 1502400 | CIF | C38 H42 Br N O3 | P 21 21 21 | 9.389; 15.1811; 44.014 90; 90; 90 | 6273.6 | Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D. Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine. Organic letters, 2011, 13, 4786-4789 |
| 1502401 | CIF | C38 H41 N3 O7 | P 1 | 7.1374; 10.4915; 23.5245 96.57; 91.75; 108.864 | 1651.72 | Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D. Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine. Organic letters, 2011, 13, 4786-4789 |
| 1502402 | CIF | C24 H16 | P 1 21/c 1 | 10.1508; 10.378; 15.321 90; 99.993; 90 | 1589.5 | Pieters, Grégory; Gaucher, Anne; Marrot, Jérôme; Maurel, François; Naubron, Jean-Valère; Jean, Marion; Vanthuyne, Nicolas; Crassous, Jeanne; Prim, Damien New chiral cyclooctatriene-based polycyclic architectures. Organic letters, 2011, 13, 4450-4453 |
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