Crystallography Open Database
Search results
Result: there are 20931 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching space group like 'P 1 21 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100548 | CIF | C19 H44 Cl4 N4 P4 Zn4 | P 1 21 1 | 11.4239; 10.9326; 15.5388 90; 97.247; 90 | 1925.18 | Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K. Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1434-1442 |
| 1100553 | CIF | C10 H21 N O3 | P 1 21 1 | 8.882; 8.045; 8.9151 90; 116.865; 90 | 568.28 | Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus Formation of Chiral N-Oxides from 2-Azabicyclo[3.3.0]octanes European Journal of Organic Chemistry, 1999, 1999, 1249-1252 |
| 1100560 | CIF | C36 H36 O2 P2 | P 1 21 1 | 10.832; 11.622; 11.833 90; 96.88; 90 | 1478.92 | Demay, Stéphane; Harms, Klaus; Knochel, Paul Stereoselective preparation of phosphine oxides via a 2,3-sigmatropic shift of allylic diphenylphosphinites Tetrahedron Letters, 1999, 40, 4981-4984 |
| 1100565 | CIF | C17 H18 Br N O2 S | P 1 21 1 | 10.3868; 10.7916; 15.6284 90; 106.176; 90 | 1682.44 | no bibliography |
| 1100593 | CIF | C33 H33 B V2 | P 1 21 1 | 10.1842; 8.9716; 14.35 90; 96.139; 90 | 1303.62 | Elschenbroich, Christoph; Wolf, Matthias; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen The Mono-, Di-, and Tri([5]trovacenyl)boranes: A Study of Intermetallic Communication Across an sp^2^-Hybridized Boron Atom European Journal of Inorganic Chemistry, 1999, 1999, 2173-2185 |
| 1100596 | CIF | C18 H16 V | P 1 21 1 | 10.768; 7.851; 16.189 90; 97.53; 90 | 1356.81 | Elschenbroich, Christoph; Schiemann, Olav; Burghaus, Olaf; Harms, Klaus; Pebler, Jürgen [5-5]Bitrovacene, (μ-η^5^:η^5^-Fulvalenediyl)bis[(η^7^-cycloheptatrienyl)vanadium]: Synthesis, Structure, and Intermetallic Communication Organometallics, 1999, 18, 3273-3277 |
| 1100600 | CIF | C25 H62 Cd4 Cl6 N4 P4 | P 1 21 1 | 11.007; 10.988; 18.528 90; 90.57; 90 | 2240.8 | Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias Heterocubane Phosphoraniminato Complexes of Cadmium Inorganic Chemistry, 1998, 37, 1099-1104 |
| 1100647 | CIF | C12 H21 N O5 | P 1 21 1 | 7.623; 9.913; 9.624 90; 95.9; 90 | 723.4 | Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry, 1999, 1999, 2977-2990 |
| 1100648 | CIF | C12 H21 N O5 | P 1 21 1 | 8.6269; 9.251; 9.789 90; 106.459; 90 | 749.22 | Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry, 1999, 1999, 2977-2990 |
| 1100668 | CIF | C25 H32 Cl F O5 | P 1 21 1 | 7.6961; 14.6036; 10.4355 90; 95.739; 90 | 1166.98 | Haramura, Masayuki; Tanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Clobetasol Propionate Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x37-x38 |
| 1100676 | CIF | C11 H16 Br N | P 1 21 1 | 6.1468; 10.7412; 9.0572 90; 103.665; 90 | 581.07 | Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x53-x54 |
| 1100689 | CIF | C28 H31 F O4 | P 1 21 1 | 12.4629; 6.1705; 15.5815 90; 102.243; 90 | 1171 | Soriano-García, Manuel; Valencia, Norma; Flores, Eugenio; Bratoeff, Eugene; Ramírez, Elena; Cabeza, Marisa Crystal structure and Synthesis of β-(p-Fluorobenzoyloxy)-4,16-pregnadiene-6,20-dione Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x79-x80 |
| 1100783 | CIF | C28 H38 Ag Cl2 N3 O2 | P 1 21 1 | 12.432; 16.167; 15.208 90; 105.025; 90 | 2952.1 | Chizu Shimokawa; Shinobu Itoh The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex Inorganic Chemistry, 2005, 44, 3010-3012 |
| 1100840 | CIF | C20 H44 Cl2 O P2 Ru | P 1 21 1 | 7.3561; 14.3852; 11.9104 90; 90.843; 90 | 1260.21 | Major, Quinn; Lough, Alan J.; Gusev, Dmitry G. Substituents Effects in POP Pincer Complexes of Ruthenium Organometallics, 2005, 24, 2492-2501 |
| 1100918 | CIF | C19 H29 Co N6 O4 | P 1 21 1 | 8.638; 13.833; 9.537 90; 99.06; 90 | 1125.35 | Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III) Journal of the American Chemical Society, 1981, 103, 5805-5812 |
| 1500008 | CIF | C24 H112 Cl7 Co6 N24 O26 P5 | P 1 21 1 | 12.8349; 18.7451; 16.002 90; 109.23; 90 | 3635.1 | Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O Inorganic Chemistry Communications, 2006, 9, 782-784 |
| 1501544 | CIF | C33 H30 N2 O6 | P 1 21 1 | 4.9653; 13.6703; 20.3533 90; 95.949; 90 | 1374.08 | Daniel J. St-Cyr; Thierry Maris; William D. Lubel Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics Heterocycles, 2010, 82, 729-737 |
| 1501545 | CIF | C26 H30 N2 O6 | P 1 21 1 | 14.1833; 6.0199; 14.6315 90; 105.559; 90 | 1203.49 | Daniel J. St-Cyr; Thierry Maris; William D. Lubel Crystal-State Structural Analysis of Beta-Hydroxy-gamma-Lactam Constrained SER/THR Peptidomimetics Heterocycles, 2010, 82, 729-737 |
| 1501621 | CIF | C48 H38 N8 O14 | P 1 21 1 | 11.6772; 17.9809; 11.9334 90; 116.183; 90 | 2248.5 | Eric Gagnon; Thierry Maris; Kenneth E. Maly; James D. Wuest The potential of intermolecular N/O interactions of nitro groups in crystal engineering, as revealed by structures of hexakis(4-nitrophenyl)benzene Tetrahedron, 2007, 63, 6603-6613 |
| 1501796 | CIF | C15 H22 O3 | P 1 21 1 | 6.7198; 12.2064; 8.2198 90; 107.746; 90 | 642.14 | Lu, Yi; Li, Po-Ju; Hung, Wen-Yu; Su, Jui-Hsin; Wen, Zhi-Hong; Hsu, Chi-Hsin; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng Nardosinane sesquiterpenoids from the Formosan soft coral Lemnalia flava. Journal of natural products, 2011, 74, 169-174 |
| 1501798 | CIF | C19 H23 N O5 | P 1 21 1 | 11.916; 6.673; 21.319 90; 90.46; 90 | 1695.1 | He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha. Journal of natural products, 2011, 74, 181-184 |
| 1501800 | CIF | C14 H15 N O7 | P 1 21 1 | 9.2997; 6.9294; 10.8143 90; 112.279; 90 | 644.86 | McNulty, James; Thorat, Amol; Vurgun, Nesrin; Nair, Jerald J.; Makaji, Emilija; Crankshaw, Denis J.; Holloway, Alison C.; Pandey, Siyaram Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor. Journal of natural products, 2011, 74, 106-108 |
| 1501806 | CIF | C17 H18 O5 | P 1 21 1 | 7.3433; 11.4642; 9.1189 90; 107.807; 90 | 730.9 | Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity. Journal of natural products, 2011, 74, 2489-2496 |
| 1501807 | CIF | C15 H19 N O4 | P 1 21 1 | 7.2182; 8.5374; 12.1649 90; 99.722; 90 | 738.89 | Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products, 2011, 74, 1003-1008 |
| 1501808 | CIF | C49 H79 N7 O13 | P 1 21 1 | 10.844; 16.113; 16.05 90; 104.062; 90 | 2720.4 | Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products, 2011, 74, 1003-1008 |
| 1501809 | CIF | C13 H14 F3 N O3 | P 1 21 1 | 7.9918; 6.385; 13.4458 90; 103.181; 90 | 668.03 | Pettit, George R.; Smith, Thomas H.; Xu, Jun-Ping; Herald, Delbert L.; Flahive, Erik J.; Anderson, Collin R.; Belcher, Paul E.; Knight, John C. Antineoplastic agents. 590. X-ray crystal structure of dolastatin 16 and syntheses of the dolamethylleuine and dolaphenvaline units. Journal of natural products, 2011, 74, 1003-1008 |
| 1501810 | CIF | C17 H22 O4 | P 1 21 1 | 5.8825; 8.9553; 14.6363 90; 100.671; 90 | 757.7 | Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea. Journal of natural products, 2011, 74, 997-1002 |
| 1501812 | CIF | C22 H32 O6 | P 1 21 1 | 12.1972; 8.9304; 18.0154 90; 90.176; 90 | 1962.3 | Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K. Labdane diterpenoids from Leonurus sibiricus. Journal of natural products, 2011, 74, 831-836 |
| 1501816 | CIF | C45 H51 N O20 | P 1 21 1 | 10.3372; 16.3424; 13.1251 90; 93.2976; 90 | 2213.61 | Lhinhatrakool, Thitima; Prabpai, Samran; Kongsaeree, Palangpon; Sutthivaiyakit, Somyote Antiplasmodial sesquiterpene alkaloids from the roots of Maytenus mekongensis. Journal of natural products, 2011, 74, 1386-1391 |
| 1501818 | CIF | C29 H42 O5 | P 1 21 1 | 13.846; 6.1634; 15.497 90; 105.886; 90 | 1272 | Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala. Journal of natural products, 2011, 74, 1132-1141 |
| 1501820 | CIF | C40 H44 O14 | P 1 21 1 | 9.84; 18.655; 10.168 90; 101.518; 90 | 1828.9 | Fang, Ping-Lei; Cao, Ying-Li; Yan, Huan; Pan, Li-Li; Liu, Shu-Cong; Gong, Ning-Bo; Lü, Yang; Chen, Chang-Xiang; Zhong, Hui-Min; Guo, Ying; Liu, Hai-Yang Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus. Journal of natural products, 2011, 74, 1408-1413 |
| 1501824 | CIF | C20 H24 O5 | P 1 21 1 | 10.5854; 7.81311; 10.6146 90; 98.851; 90 | 867.43 | Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka Chemical constituents of a marine fungus, Arthrinium sacchari. Journal of natural products, 2011, 74, 1645-1649 |
| 1501826 | CIF | C16 H24 O5 | P 1 21 1 | 8.738; 12.2728; 14.3159 90; 97.163; 90 | 1523.25 | Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala. Journal of natural products, 2011, 74, 1230-1235 |
| 1501828 | CIF | C22 H33 O7 | P 1 21 1 | 7.726; 6.353; 23.42 90; 93.2; 90 | 1148 | Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora. Journal of natural products, 2011, 74, 1526-1530 |
| 1501835 | CIF | C16 H16 O4 | P 1 21 1 | 7.2659; 14.0034; 13.9617 90; 97.446; 90 | 1408.59 | Elsebai, Mahmoud Fahmi; Natesan, Lavanya; Kehraus, Stefan; Mohamed, Ietidal E.; Schnakenburg, Gregor; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; König, Gabriele M HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale. Journal of natural products, 2011, 74, 2282-2285 |
| 1501845 | CIF | C30 H46 O4 | P 1 21 1 | 7.5; 17.596; 10.344 90; 98.773; 90 | 1349 | Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan Tirucallane-type triterpenoids from Dysoxylum lenticellatum. Journal of natural products, 2011, 74, 2235-2242 |
| 1501852 | CIF | C18 H16 N4 O2 | P 1 21 1 | 8.9091; 4.86; 17.9948 90; 100.636; 90 | 765.76 | Su, Xin; Aprahamian, Ivan Switching around two axles: controlling the configuration and conformation of a hydrazone-based switch. Organic letters, 2011, 13, 30-33 |
| 1501854 | CIF | C17 H17 N3 | P 1 21 1 | 12.632; 9.666; 12.804 90; 116.024; 90 | 1404.9 | Bigot, Aurélien; Blythe, Judith; Pandya, Chirag; Wagner, Trixie; Loiseleur, Olivier DAST-mediated cyclization of α,α-disubstituted-α-acylaminoketones: efficient and divergent synthesis of unprecedented heterocycles. Organic letters, 2011, 13, 192-195 |
| 1501856 | CIF | C21 H22 Fe O6 S | P 1 21 1 | 7.1397; 6.5723; 21.7434 90; 98.501; 90 | 1009.08 | Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S. Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex. Organic letters, 2011, 13, 58-61 |
| 1501867 | CIF | C23 H18 F6 O2 S | P 1 21 1 | 6.124; 14.952; 12.56 90; 91.07; 90 | 1149.9 | Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters, 2011, 13, 184-187 |
| 1501868 | CIF | C24 H27 N O5 | P 1 21 1 | 6.297; 19.655; 8.8472 90; 91.87; 90 | 1094.4 | Wang, Lin; Xi, Yumeng; Yang, Shouliang; Zhu, Rong; Liang, Yufan; Chen, Jiahua; Yang, Zhen Asymmetric total synthesis and structural elucidation of NFAT-68. Organic letters, 2011, 13, 74-77 |
| 1501869 | CIF | C16 H17 N O7 | P 1 21 1 | 7.4253; 6.7697; 16.333 90; 102.13; 90 | 802.7 | Chen, Yan; Ju, Tong Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3). Organic letters, 2011, 13, 86-89 |
| 1501871 | CIF | C28 H47 O6 | P 1 21 1 | 11.193; 10.374; 13.163 90; 106.797; 90 | 1463 | Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong Total synthesis of (-)-Przewalskin B. Organic letters, 2011, 13, 173-175 |
| 1501872 | CIF | C25 H20 Cl N O4 | P 1 21 1 | 8.6429; 27.752; 9.2865 90; 107.44; 90 | 2125 | Zhong, Fangrui; Chen, Guo-Ying; Lu, Yixin Enantioselective Morita-Baylis-Hillman reaction of isatins with acrylates: facile creation of 3-hydroxy-2-oxindoles. Organic letters, 2011, 13, 82-85 |
| 1501907 | CIF | C9 H18 Cl N | P 1 21 1 | 6.0676; 10.7264; 7.8745 90; 104.958; 90 | 495.13 | Faraldos, Juan A.; Kariuki, Benson M.; Coates, Robert M. 2-azapinanes: aza analogues of the enantiomeric pinyl carbocation intermediates in pinene biosynthesis. Organic letters, 2011, 13, 836-839 |
| 1501912 | CIF | C17 H13 Cl O2 | P 1 21 1 | 8.1646; 5.2885; 16.1885 90; 99.21; 90 | 689.98 | Li, Qiankun; Jiang, Xinpeng; Fu, Chunling; Ma, Shengming One-Pot Construction of Aza- or Oxa-Bridged Benzocycloheptanes from Readily Available 2,3-Allenyl Malonates or 2,3-Allenols and o-Iodobenzaldehyde or Imine Organic Letters, 2011, 13, 466-469 |
| 1501917 | CIF | C24 H23 N O4 | P 1 21 1 | 7.7205; 14.032; 9.5919 90; 104.39; 90 | 1006.5 | Cao, Weidi; Liu, Xiaohua; Wang, Wentao; Lin, Lili; Feng, Xiaoming Highly enantioselective synthesis of tetrahydroquinolines via cobalt(II)-catalyzed tandem 1,5-hydride transfer/cyclization. Organic letters, 2011, 13, 600-603 |
| 1501920 | CIF | C26 H25 Br N2 O6 | P 1 21 1 | 8.208; 14.4061; 10.6072 90; 109.691; 90 | 1180.91 | Lee, Jihoon; Panek, James S. Total synthesis of (+)-isatisine A. Organic letters, 2011, 13, 502-505 |
| 1501932 | CIF | C24 H22 N2 O4 | P 1 21 1 | 7.6713; 10.9248; 11.8599 90; 99.368; 90 | 980.69 | Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones. Organic letters, 2011, 13, 876-879 |
| 1501933 | CIF | C19 H24 O5 S2 | P 1 21 1 | 8.3787; 10.986; 20.823 90; 94.556; 90 | 1910.7 | Xiao, Jian; Lu, Yun-Peng; Liu, Yan-Ling; Wong, Poh-Shen; Loh, Teck-Peng A new class of structurally rigid tricyclic chiral secondary amine organocatalyst: highly enantioselective organocatalytic Michael addition of aldehydes to vinyl sulfones. Organic letters, 2011, 13, 876-879 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!