Crystallography Open Database
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Searching space group like 'P 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000459 | CIF | C H22 Al2 Ca4 O20 | P 1 | 5.7747; 8.4689; 9.923 64.77; 82.75; 81.43 | 433 | Francois, M; Renaudin, G; Evrard, O A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O Acta Crystallographica C (39,1983-), 1998, 54, 1214-1217 |
| 1001844 | CIF | F12 H2 Np3 O | P 1 | 8.455; 8.858; 8.396 113.83; 116.64; 58.03 | 465.2 | Cousson, A; Abazli, H; Pages, M; Gasperin, M Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O Acta Crystallographica C (39,1983-), 1983, 39, 425-427 |
| 1004039 | CIF | B Cl4 K O12 S4 | P 1 | 10.513; 10.838; 10.965 99.21; 135.48; 97.15 | 811.7 | Mairesse, G; Drache, M The crystal structure of potassium tetrachlorosulfatoborate, K (B (S O~3~ Cl)~4~) Acta Crystallographica B (24,1968-38,1982), 1978, 34, 1771-1776 |
| 1007093 | CIF | Ce H8 N2 O15 P5 | P 1 | 7.241; 13.314; 7.241 90.35; 107.5; 90.28 | 665.7 | Rzaigui, M; Ariguib, K; Averbuch-Pouchot, M T; Durif, A Crystal Structure of Cerium(III) Diammonium Polyphosphate (N H~4~)~2~ Ce (P O3)5 Journal of Solid State Chemistry, 1983, 50, 240-246 |
| 1007133 | CIF | Ce O14 P5 | P 1 | 9.227; 8.89; 7.219 110.12; 102.68; 82.13 | 541.2 | Rzaigui, M; Kbir Ariguib, N; Averbuch-Pouchot, M T; Durif, A Crystal Structure of Triclinic Ce P~5~ O~14~: A New Type of Ultraphosphate Journal of Solid State Chemistry, 1984, 52, 61-65 |
| 1007208 | CIF | H2 K7 N O22 P6 | P 1 | 9.7; 9.749; 6.543 107.23; 106.37; 75.88 | 558.3 | Averbuch-Pouchot, M T; Durif, A Structural characterization of a series of cyclohexaphosphate nitrates: M~6~P~6~O~18~.MNO~3~.H~2~O. (M=K, NH~4~ and Rb) European Journal of Solid State Inorganic Chemistry, 1992, 29, 1161-1172 |
| 1010563 | CIF | Al Cl3 | P 1 | 3.475; 3.475; 8.51 90; 90; 120 | 89 | Laschkarew, W E Zur Struktur Al Cl~3~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1930, 193, 270-276 |
| 1100201 | CIF | C14 H12 Cl2 O S | P 1 | 9.018; 9.6771; 9.974 71.564; 62.985; 62.938 | 683.92 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1100202 | CIF | C14 H12 Br Cl O S | P 1 | 9.1121; 9.7596; 9.9764 84.681; 62.893; 63.397 | 699.198 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1100269 | CIF | C54 H82 N9 O6.5 | P 1 | 9.3553; 15.9882; 19.585 103.119; 90.298; 102.334 | 2782.6 | Hoffmann, Reinhard W.; Hettche, Frank; Harms, Klaus Energies and selectivities for anion binding as a function of host conformational preorganisation Chemical Communications (Cambridge, United Kingdom), 2002, 782-783 |
| 1100342 | CIF | C39 H52 B N O9 | P 1 | 10.938; 13.923; 14.477 101.16; 109.52; 104.29 | 1919.53 | Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus Heterotopic Host Molecules for Binding Two Different Guests Angewandte Chemie, International Edition in English, 1991, 30, 1474-1476 |
| 1100404 | CIF | C26 H27 Li O2 | P 1 | 11.05; 11.561; 19.302 96.94; 93; 115.58 | 2192.74 | Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures Liebigs Annalen, 1995, 1995, 457-460 |
| 1100503 | CIF | C27 H25 N O2 | P 1 | 8.766; 9.673; 12.647 81.71; 82.07; 78.91 | 1034.63 | Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1999, 2353-2365 |
| 1100594 | CIF | C36 H33 B V3 | P 1 | 7.796; 12.429; 14.599 98.94; 94.67; 93.15 | 1389.48 | 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 |
| 1100692 | CIF | Bi2 K6 O21 P6 | P 1 | 6.985; 9.045; 10.256 111.87; 104.25; 102 | 549.5 | Falah, Chiraz; Boughzala, Habib; Jouini, Tahar Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~ Analytical Sciences: X-ray Structure Analysis Online, 2004, 20, x17-x18 |
| 1100982 | CIF | C52 H58 Co F6 N2 O2 Pd | P 1 | 10.1173; 10.4874; 12.6206 67.012; 73.738; 88.769 | 1177.57 | Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States Inorganic Chemistry, 2005, 44, 3709-3717 |
| 1101105 | CIF | C20 H42 N8 Ni O22 | P 1 | 7.152; 8.83; 13.783 82.024; 86.155; 70.9 | 814.3 | Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate Journal of Chemical Crystallography, 1999, 29, 1009-1013 |
| 1101134 | CIF | C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 | P 1 | 11.076; 11.045; 24.728 91.19; 94.5; 108.67 | 2853.7 | G. Cervantes; V. Moreno; E. Molins; Miguel Quirós Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II) Polyhedron, 1998, 17, 3343-3350 |
| 1501804 | CIF | C15 H23.5 O5 | P 1 | 8.583; 9.549; 11.107 73.568; 69.697; 67.017 | 774.5 | Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp. Journal of natural products, 2011, 74, 296-299 |
| 1501831 | CIF | C30 H46 O3 | P 1 | 6.7903; 7.0914; 14.7228 78.885; 81.171; 63.15 | 618.86 | Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa. Journal of natural products, 2011, 74, 1744-1750 |
| 1501866 | CIF | C24 H22 O2 S | P 1 | 8.351; 10.444; 13.019 105.335; 97.845; 105.307 | 1029.9 | Antczak, Monika I.; Cai, Feng; Ready, Joseph M. Asymmetric synthesis of tertiary benzylic alcohols. Organic letters, 2011, 13, 184-187 |
| 1501923 | CIF | C128 H112 Na2 O16 P2 Si4 | P 1 | 14.2979; 14.5398; 15.7308 71.49; 87.882; 65.423 | 2802.94 | Hennecke, Ulrich; Müller, Christian H; Fröhlich, Roland Enantioselective haloetherification by asymmetric opening of meso-halonium ions. Organic letters, 2011, 13, 860-863 |
| 1501963 | CIF | C24 H35 I2 N O5 | P 1 | 8.3429; 8.7613; 9.7629 96.9997; 101.396; 96.5153 | 687.36 | Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E. Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation. Organic letters, 2011, 13, 1594-1597 |
| 1501997 | CIF | C25 H28 O9 | P 1 | 13.5779; 13.641; 15.0542 65.339; 65.488; 64.504 | 2191.1 | de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J. Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka. Organic letters, 2011, 13, 1174-1177 |
| 1502069 | CIF | C16 H27 N O4 S | P 1 | 7.2192; 11.2843; 17.5962 104.861; 91.043; 106.942 | 1318.66 | Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T. Stereospecific ring expansion of chiral vinyl aziridines. Organic letters, 2011, 13, 1110-1113 |
| 1502158 | CIF | C24 H24 N2 O3 S2 | P 1 | 9.8593; 11.3699; 11.6474 67.803; 76.579; 89.515 | 1171.33 | Chen, Wen-Bing; Wu, Zhi-Jun; Hu, Jing; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng Organocatalytic direct asymmetric aldol reactions of 3-isothiocyanato oxindoles to ketones: stereocontrolled synthesis of spirooxindoles bearing highly congested contiguous tetrasubstituted stereocenters. Organic letters, 2011, 13, 2472-2475 |
| 1502210 | CIF | C56 H84 O8 | P 1 | 15.09; 15.095; 15.132 96.611; 116.223; 108.05 | 2808.6 | Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A.; Chen, Xueyi; Dias, Jerry Ray Bile Acid-Based Cage Compounds with Lipophilic Outer Shells and Inner Cavities Organic Letters, 2011, 13, 3064-3067 |
| 1502284 | CIF | C27 H26 Br Cl3 N2 O2 | P 1 | 9.9605; 11.4468; 13.0628 111.413; 100.86; 101.302 | 1303.38 | Jensen, Kim L.; Dickmeiss, Gustav; Donslund, Bjarke S.; Poulsen, Pernille H.; Jørgensen, Karl Anker Asymmetric organocatalytic synthesis of complex cyclopenta[b]quinoline derivatives. Organic letters, 2011, 13, 3678-3681 |
| 1502295 | CIF | C24 H31 N2 O6.5 | P 1 | 7.4783; 11.5713; 13.3812 107.895; 90.072; 93.959 | 1098.97 | Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa Organic Letters, 2011, 13, 3888-3891 |
| 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 |
| 1502447 | CIF | C23 H28 N O3 P | P 1 | 5.8722; 9.695; 9.999 109.909; 93.647; 97.854 | 526.49 | DeKorver, Kyle A.; Walton, Mary C.; North, Troy D.; Hsung, Richard P. Introducing a new class of N-phosphoryl ynamides via Cu(I)-catalyzed amidations of alkynyl bromides. Organic letters, 2011, 13, 4862-4865 |
| 1502505 | CIF | C28 H26 Br2 N4 O3 | P 1 | 7.7053; 13.2135; 13.4615 76.246; 84.746; 79.465 | 1307.17 | Wanner, Benedikt; Mahatthananchai, Jessada; Bode, Jeffrey W. Enantioselective synthesis of dihydropyridinones via NHC-catalyzed aza-Claisen reaction. Organic letters, 2011, 13, 5378-5381 |
| 1502565 | CIF | C30 H30 Cl N O6 S | P 1 | 8.185; 9.222; 10.247 69.237; 80.106; 84.347 | 711.9 | Zhou, Si-Li; Li, Jun-Long; Dong, Lin; Chen, Ying-Chun Organocatalytic sequential hetero-Diels-Alder and Friedel-Crafts reaction: constructions of fused heterocycles with scaffold diversity. Organic letters, 2011, 13, 5874-5877 |
| 1502593 | CIF | C16 H12 N2 O3 S | P 1 | 8.327; 11.225; 16.443 108.255; 96.36; 91.162 | 1448.1 | Wang, Xiao-Na; Shen, Li-Tao; Ye, Song NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates. Organic letters, 2011, 13, 6382-6385 |
| 1502718 | CIF | C98.7 H140 O96.95 | P 1 | 15.419; 15.464; 15.612 102.72; 102.012; 104.309 | 3380.1 | Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. The journal of physical chemistry. B, 2010, 114, 11489-11495 |
| 1502819 | CIF | C15 H22 O3 | P 1 | 6.7943; 6.0697; 8.6532 90.358; 104.185; 90.069 | 345.964 | Pettit, George R.; Meng, Yanhui; Pettit, Robin K.; Herald, Delbert L.; Cichacz, Zbigniew A.; Doubek, Dennis L.; Richert, Linda Antineoplastic agents. 556. Isolation and structure of Coprinastatin 1 from Coprinus cinereus. Journal of natural products, 2010, 73, 388-392 |
| 1502950 | CIF | C85 H112 Cl3 F12 N5 O21 P2 | P 1 | 10.5785; 12.5308; 20.433 97.683; 97.63; 111.007 | 2457.6 | Su, Yong-Sheng; Chen, Chuan-Feng Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications. Organic letters, 2010, 12, 1888-1891 |
| 1503104 | CIF | C19 H20 O4 | P 1 | 5.3565; 7.6392; 10.099 76.068; 85.27; 86.338 | 399.308 | Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes Organic Letters, 2010, 12, 3610-3613 |
| 1503122 | CIF | C84 H151 N13 O22 | P 1 | 11.2535; 11.6895; 19.1693 86.46; 80.779; 87.428 | 2482.8 | Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones. Organic letters, 2010, 12, 3564-3566 |
| 1503156 | CIF | C43 H44 Cl2 N4 Ni O4 | P 1 | 12.3092; 12.3128; 12.973 90.061; 102.664; 98.557 | 1895.9 | Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M. Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers. Organic letters, 2010, 12, 4002-4005 |
| 1503196 | CIF | C26 H24 O8 | P 1 | 6.5748; 8.8652; 10.7627 69.163; 82.406; 82.35 | 578.64 | Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media. Organic letters, 2010, 12, 4435-4437 |
| 1503261 | CIF | C26 H34 Cl4 N O P Pd | P 1 | 8.428; 8.919; 9.803 93.261; 100.551; 95.576 | 718.9 | Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P. Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation. Organic letters, 2010, 12, 4667-4669 |
| 1503271 | CIF | C26 H22 Cl4 N3 O2 | P 1 | 10.006; 11.099; 11.923 80.594; 85.493; 89.428 | 1302.3 | Tetlow, Daniel J.; Hennecke, Ulrich; Raftery, James; Waring, Michael J.; Clarke, David S.; Clayden, Jonathan Sequential double α-arylation of N-allylureas by asymmetric deprotonation and N→C aryl migration. Organic letters, 2010, 12, 5442-5445 |
| 1503313 | CIF | C8 H16 N2 O4 S2 | P 1 | 8.089; 9.221; 9.805 70.49; 68.96; 73.73 | 632.6 | Wang, Yazhou; Hu, Xichao; Du, Haifeng Vicinal-diamine-based chiral chain dienes as ligands for rhodium(I)-catalyzed highly enantioselective conjugated additions. Organic letters, 2010, 12, 5482-5485 |
| 1503416 | CIF | C77 H81 F24 N9 O12 P4 | P 1 | 13.474; 13.507; 14.013 103.97; 99.34; 118.61 | 2053.8 | Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe Selectivity algorithm for the formation of two cryptand/paraquat catenanes. Organic letters, 2010, 12, 760-763 |
| 1503456 | CIF | C155 H176 N4 O9 | P 1 | 11.6351; 16.2914; 20.4165 75.588; 87.355; 77.305 | 3656.4 | Gibson, Harry W.; Wang, Hong; Niu, Zhenbin; Slebodnick, Carla; Zhakharov, Lev N.; Rheingold, Arnold L. Rotaxanes from Tetralactams Macromolecules, 2012, 45, 1270 |
| 1503465 | CIF | C16 H18 O5 | P 1 | 7.7085; 9.851; 10.445 80.9; 69.55; 67.39 | 685.8 | Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48. Journal of natural products, 2012, 75, 148-152 |
| 1503483 | CIF | C55 H46 N10 | P 1 | 7.2402; 11.587; 13.95 89.683; 78.116; 74.635 | 1102.8 | Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties. Organic letters, 2012, 14, 54-57 |
| 1503600 | CIF | C23 H23 I N2 O8 | P 1 | 7.9894; 11.0136; 14.6649 90.994; 105.668; 103.389 | 1204.27 | Shan, Mingde; Kishi, Yoshito Concise and highly stereoselective synthesis of the C20-C26 building block of halichondrins and Eribulin Organic Letters, 2012, 14, 660-663 |
| 1503631 | CIF | C28 H32 Cl2 N2 O8 | P 1 | 5.7819; 9.6587; 13.317 79.109; 82.475; 86.782 | 723.6 | Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization Organic Process Research & Development, 2012, 16, 286 |
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