Crystallography Open Database
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Searching space group like 'P b c a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1503005 | CIF | C30 H42 Cl2 Cu N12 O14 | P b c a | 12.126; 21.131; 30.52 90; 90; 90 | 7820 | Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor. Organic letters, 2010, 12, 2742-2745 |
| 1503092 | CIF | C26 H22 F3 N O2 S | P b c a | 15.2284; 17.6487; 17.8733 90; 90; 90 | 4803.7 | Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides. Organic letters, 2010, 12, 3744-3747 |
| 1503100 | CIF | C18 H21 Cl O2 | P b c a | 18.9939; 7.0672; 21.2043 90; 90; 90 | 2846.33 | Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G. Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes. Organic letters, 2010, 12, 3398-3401 |
| 1503186 | CIF | C30 H28 B Cl2 F N2 O | P b c a | 15.361; 14.451; 23.729 90; 90; 90 | 5267 | Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of azomethine imines. Organic letters, 2010, 12, 4106-4109 |
| 1503203 | CIF | C12 H9 Cl O2 | P b c a | 15.103; 6.0078; 21.747 90; 90; 90 | 1973.2 | Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin Chromene "lock", thiol "key", and mercury(II) ion "hand": a single molecular machine recognition system. Organic letters, 2010, 12, 4756-4759 |
| 1503208 | CIF | C18 H20 O2 | P b c a | 9.9559; 13.4641; 21.4149 90; 90; 90 | 2870.61 | Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A. Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements. Organic letters, 2010, 12, 4446-4449 |
| 1503260 | CIF | C12 H10 O2 | P b c a | 9.8904; 13.3099; 13.8982 90; 90; 90 | 1829.56 | Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates. Organic letters, 2010, 12, 4904-4907 |
| 1503297 | CIF | C18 H24 O3 Si | P b c a | 18.994; 7.2836; 25.679 90; 90; 90 | 3552.6 | Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J. SmI~2~-mediated radical cyclizations directed by a C-Si bond Organic Letters, 2010, 12, 5446-5449 |
| 1503319 | CIF | C20 H14 N2 O | P b c a | 10.6357; 12.4031; 22.803 90; 90; 90 | 3008.07 | Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M. Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes. Organic letters, 2010, 12, 5302-5305 |
| 1503370 | CIF | C24 H22 S6 Si2 | P b c a | 8.9624; 19.1122; 31.228 90; 90; 90 | 5349.1 | Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene. Organic letters, 2010, 12, 456-459 |
| 1503377 | CIF | C19 H13 N3 O | P b c a | 7.0652; 20.188; 21.214 90; 90; 90 | 3025.8 | Zhao, Tiankun; Xu, Bin Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones. Organic letters, 2010, 12, 212-215 |
| 1503383 | CIF | C118 H166 F30 N14 O20 | P b c a | 22.9778; 21.9054; 26.306 90; 90; 90 | 13240.8 | Arunachalam, M.; Ghosh, Pradyut Bistripodand amide host for compartmental recognition of multiple oxyanions. Organic letters, 2010, 12, 328-331 |
| 1503471 | CIF | C18 H18 O4 | P b c a | 8.3669; 17.2652; 20.0508 90; 90; 90 | 2896.5 | Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum. Journal of natural products, 2012, 75, 275-279 |
| 1503509 | CIF | C32 H19 N7 Ni | P b c a | 22.06; 6.295; 34.93 90; 90; 90 | 4850.6 | Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins. Organic letters, 2012, 14, 190-193 |
| 1503520 | CIF | C8 H16 N2 O2 | P b c a | 13.5392; 6.7124; 20.4694 90; 90; 90 | 1860.27 | Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones. Organic letters, 2012, 14, 218-221 |
| 1503588 | CIF | C28 H28 N2 O4 S | P b c a | 19.5308; 10.1952; 24.8108 90; 90; 90 | 4940.3 | Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence. Organic letters, 2012, 14, 740-743 |
| 1503659 | CIF | C21 H24 N4 O2 | P b c a | 8.7519; 16.8317; 25.6881 90; 90; 90 | 3784.1 | Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry, 2009, 11, 1050 |
| 1503660 | CIF | C10 H10 N4 O3 | P b c a | 8.973; 8.3478; 28.1826 90; 90; 90 | 2111 | Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones Journal of Combinatorial Chemistry, 2009, 11, 1050 |
| 1503721 | CIF | C22 H33 N5 O4 | P b c a | 8.0384; 16.6403; 33.381 90; 90; 90 | 4465.1 | Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C. Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality. Organic letters, 2009, 11, 61-64 |
| 1503737 | CIF | C42 H28 | P b c a | 16.753; 17.878; 18.941 90; 90; 90 | 5673 | Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers. Organic letters, 2009, 11, 321-324 |
| 1503748 | CIF | C22 H28 N O5 P S | P b c a | 12.596; 17.629; 20.182 90; 90; 90 | 4481.5 | Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines. Organic letters, 2009, 11, 457-459 |
| 1503798 | CIF | C15 H18 N2 O2 | P b c a | 11.725; 13.381; 17.617 90; 90; 90 | 2764 | Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides. Organic letters, 2009, 11, 1015-1018 |
| 1503808 | CIF | C6 H8 O2 Te | P b c a | 25.479; 5.981; 30.461 90; 90; 90 | 4641.9 | Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue. Organic letters, 2009, 11, 1487-1490 |
| 1503835 | CIF | C37 H45 Cl3 I2 N2 O2 | P b c a | 19.8903; 16.9211; 25.5102 90; 90; 90 | 8585.9 | Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M. Unusual mechanistic course of some NHC-mediated transesterifications. Organic letters, 2009, 11, 1643-1646 |
| 1503846 | CIF | C23 H23 N O | P b c a | 10.455; 11.538; 29.956 90; 90; 90 | 3613.6 | Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions. Organic letters, 2009, 11, 1911-1914 |
| 1503882 | CIF | C16 H19 N3 O3 S2 | P b c a | 12.215; 8.434; 34.429 90; 90; 90 | 3546.9 | Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S. An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes. Organic letters, 2009, 11, 2265-2268 |
| 1503932 | CIF | C18 H26 N2 O3 | P b c a | 9.7178; 12.0387; 29.641 90; 90; 90 | 3467.7 | Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction. Organic letters, 2009, 11, 2333-2336 |
| 1503943 | CIF | C10 H15 N5 O3 | P b c a | 6.936; 17.283; 20.657 90; 90; 90 | 2476.3 | Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin. Organic letters, 2009, 11, 2523-2526 |
| 1503989 | CIF | C18 H21 N O5 | P b c a | 12.7255; 9.7373; 26.8842 90; 90; 90 | 3331.3 | Tang, Yuchen; Fettinger, James C.; Shaw, Jared T. One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides. Organic letters, 2009, 11, 3802-3805 |
| 1504012 | CIF | C20 H17 N S2 | P b c a | 9.6873; 17.8299; 18.963 90; 90; 90 | 3275.4 | Balaji, Ganapathy; Valiyaveettil, Suresh Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles. Organic letters, 2009, 11, 3358-3361 |
| 1504064 | CIF | C25 H26 Br N O4 | P b c a | 17.103; 8.857; 29.744 90; 90; 90 | 4505.7 | Shintani, Ryo; Hayashi, Shin-ya; Murakami, Masataka; Takeda, Momotaro; Hayashi, Tamio Stereoselective synthesis of spirooxindoles by palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with isatins. Organic letters, 2009, 11, 3754-3756 |
| 1504083 | CIF | C36 H52 N8 O8 | P b c a | 14.488; 18.236; 28.915 90; 90; 90 | 7639 | Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin The influence of amine functionalities on anion binding in polyamide-containing macrocycles. Organic letters, 2009, 11, 3654-3657 |
| 1504107 | CIF | C25 H28 N2 O3 | P b c a | 13.0902; 16.4023; 19.4869 90; 90; 90 | 4184 | Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties. Organic letters, 2009, 11, 4064-4067 |
| 1504118 | CIF | C10 H9 N O2 S | P b c a | 9.4658; 10.2821; 19.9354 90; 90; 90 | 1940.28 | Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K. Acyl-isothiocyanates as efficient thiocyanate transfer reagents. Organic letters, 2009, 11, 3382-3385 |
| 1504144 | CIF | C20 H14 | P b c a | 7.9296; 11.5575; 14.399 90; 90; 90 | 1319.6 | Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals. Organic letters, 2009, 11, 4026-4028 |
| 1504171 | CIF | C18 H24 O S | P b c a | 9.2519; 16.7091; 20.816 90; 90; 90 | 3218 | Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent. Organic letters, 2009, 11, 4576-4579 |
| 1504236 | CIF | C15 H17 N O4 | P b c a | 9.03; 11.494; 26.562 90; 90; 90 | 2757 | Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters, 2009, 11, 4902-4905 |
| 1504237 | CIF | C16 H19 N O4 | P b c a | 9.4786; 10.8076; 28.163 90; 90; 90 | 2885 | Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals. Organic letters, 2009, 11, 4902-4905 |
| 1504246 | CIF | C39 H42 | P b c a | 10.8889; 18.2557; 30.536 90; 90; 90 | 6070.1 | Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation. Organic letters, 2009, 11, 4942-4945 |
| 1504253 | CIF | C13 H12 N4 | P b c a | 17.055; 6.187; 22.305 90; 90; 90 | 2353.6 | Lee, Sanghee; Park, Seung Bum An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening. Organic letters, 2009, 11, 5214-5217 |
| 1504290 | CIF | C28 H32 N2 O3 | P b c a | 12.587; 12.897; 30.669 90; 90; 90 | 4979 | Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes. Organic letters, 2009, 11, 5642-5645 |
| 1504316 | CIF | C9 H9 N O3 | P b c a | 16.163; 8.953; 22.95 90; 90; 90 | 3321 | Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O. Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist† Organic Process Research & Development, 2009, 13, 198 |
| 1504319 | CIF | C9 H10 Cl N O | P b c a | 9.4251; 9.2575; 20.1686 90; 90; 90 | 1759.77 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504320 | CIF | C11 H14 Cl N O | P b c a | 9.7381; 10.0151; 22.9501 90; 90; 90 | 2238.28 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504323 | CIF | C7 H6 Br N O | P b c a | 10.848; 9.8017; 13.5375 90; 90; 90 | 1439.43 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504334 | CIF | C17 H26 N4 O3 | P b c a | 10.2548; 17.3996; 21.2408 90; 90; 90 | 3790 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 595 |
| 1504366 | CIF | C16 H8 F6 N2 O | P b c a | 15.064; 5.9041; 32.08 90; 90; 90 | 2853.2 | Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups Journal of Physical Chemistry C, 2008, 112, 7939 |
| 1504407 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3395; 8.5023; 17.1507 90; 90; 90 | 1216.07 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504408 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3459; 8.5084; 17.1684 90; 90; 90 | 1219.13 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504430 | CIF | C24 H19 B Cl2 I2 N2 O | P b c a | 16.7466; 20.0392; 29.3774 90; 90; 90 | 9858.7 | Nagata, Yuuya; Chujo, Yoshiki Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior Macromolecules, 2008, 41, 3488 |
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