Crystallography Open Database
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Searching space group like 'P 31'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1007083 | CIF | As Cr2 H K2 O10 | P 31 | 7.712; 7.712; 14.644 90; 90; 120 | 754.3 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure de l'Hydrogenobis(chromato)arsenate de Potassium K~2~ H Cr~2~ As O~10~ et Donnees Cristallographiques sur K~2~ H Cr~2~ P O~10~ Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3725-3727 |
1501929 | CIF | C44 H36 O6 P2 | P 31 | 15.7461; 15.7461; 11.9364 90; 90; 120 | 2563.01 | Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition. Organic letters, 2011, 13, 362-365 |
1503120 | CIF | C44 H78 N6 O11 | P 31 | 21.328; 21.328; 29.108 90; 90; 120 | 11467 | 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 |
1503244 | CIF | C48 H52 Br2 N2 O12 | P 31 | 13.1062; 13.1062; 23.513 90; 90; 120 | 3497.8 | Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou Sequential organocatalytic Stetter and Michael-Aldol condensation reaction: asymmetric synthesis of fully substituted cyclopentenes via a [1 + 2 + 2] annulation strategy. Organic letters, 2010, 12, 4812-4815 |
1503336 | CIF | C21 H18 Br N O2 | P 31 | 9.5081; 9.5081; 17.135 90; 90; 120 | 1341.5 | Hayashi, Ryuji; Walton, Mary C.; Hsung, Richard P.; Schwab, John H.; Yu, Xueliang Stereoselective 6π-electron electrocyclic ring closures of 2-halo-amidotrienes via a remote 1,6-asymmetric induction. Organic letters, 2010, 12, 5768-5771 |
1503439 | CIF | C35 H27 Cl2 N O5 | P 31 | 14.961; 14.961; 25.968 90; 90; 120 | 5034 | Wei, Qiang; Gong, Liu-Zhu Organocatalytic asymmetric formal [4 + 2] cycloaddition for the synthesis of spiro[4-cyclohexanone-1,3'-oxindoline] derivatives in high optical purity. Organic letters, 2010, 12, 1008-1011 |
1503836 | CIF | C26 H24 Br2 O2 | P 31 | 13.4765; 13.4765; 10.5602 90; 90; 120 | 1660.95 | Chein, Rong-Jie; Yeung, Ying-Yeung; Corey, E. J. Highly enantioselective oxazaborolidine-catalyzed reduction of 1,3-dicarbonyl compounds: role of the additive diethylaniline. Organic letters, 2009, 11, 1611-1614 |
1503921 | CIF | C21 H22 N O1.5 S | P 31 | 9.7337; 9.7337; 32.624 90; 90; 120 | 2676.8 | Clayden, Jonathan; Fletcher, Stephen P.; Rowbottom, S. J. M.; Helliwell, Madeleine Conformational preferences of a polar biaryl: a phase- and enantiomeric purity-dependent molecular hinge. Organic letters, 2009, 11, 2313-2316 |
1504481 | CIF | C44 H38 N2 O3 | P 31 | 23.562; 23.562; 16.129 90; 90; 120 | 7755 | Gerstenberger, Brian S.; Lin, Jinzhen; Mimieux, Yvette S.; Brown, Lauren E.; Oliver, Allen G.; Konopelski, Joseph P. Structural characterization of an enantiomerically pure amino acid imidazolide and direct formation of the beta-lactam nucleus from an alpha-amino acid. Organic letters, 2008, 10, 369-372 |
1506359 | CIF | C57 H58 N2 O22 | P 31 | 15.6681; 15.6681; 17.4559 90; 90; 120 | 3711.12 | Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H. Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA. Journal of medicinal chemistry, 2005, 48, 7648-7657 |
1506680 | CIF | C33 H55 N O4 | P 31 | 14.9601; 14.9602; 12.7394 90; 90; 120 | 2469.2 | Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids. Organic letters, 2005, 7, 3597-3600 |
1511021 | CIF | B Ce0.5 La0.5 O5 Si | P 31 | 6.841; 6.841; 6.702 90; 90; 120 | 271.628 | MacDonald, D.J.; Burns, P.C.; della Ventura, G.; Parodi, G.C.; Hawthorne, F.C. The crystal structure of stillwellite Canadian Mineralogist, 1993, 31, 147-152 |
1511028 | CIF | B Ce O5 Si | P 31 | 6.85; 6.85; 6.7 90; 90; 120 | 272.262 | Voronkov, A.A.; Pyatenko, Yu.A. X-ray diffraction study of the atomic structure of stillwellite Ce B O (Si O4) Kristallografiya, 1967, 12, 258-265 |
1511171 | CIF | B Ge La O5 | P 31 | 7.02; 7.02; 6.879 90; 90; 120 | 293.583 | Butashin, A.V.; Mill', B.V.; Kaminskii, A.A.; Belokoneva, E.L. Growth, structure and spectroscopy of lanthanum borogermanate crystals La B Ge O5 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1990, 26, 1105-1107 |
1511175 | CIF | B Ge O5 Pr | P 31 | 6.9436; 6.9436; 6.8688 90; 90; 120 | 286.801 | David, W.I.F.; Forsyth, J.B.; Belokoneva, E.L.; Knight, K.S. Structures and phase transitions of Pr B Ge O5 in the temperature range 20 - 800 C Journal of Physics: Condensed Matter, 1998, 10, 9975-9989 |
1511176 | CIF | B Ge O5 Pr | P 31 | 12.0202; 12.0202; 6.7999 90; 90; 120 | 850.857 | Knight, K.S.; Belokoneva, E.L.; David, W.I.F.; Forsyth, J.B. Structures and phase transitions of Pr B Ge O5 in the temperature range 20 - 800 C Journal of Physics: Condensed Matter, 1998, 10, 9975-9989 |
1511205 | CIF | B La O5 Si | P 31 | 6.815; 6.815; 6.758 90; 90; 120 | 271.819 | Maksimov, B.A.; Genkina, E.A.; Samygina, V.R.; Leonyuk, N.I. Crystal structure of La-analog of stilvellite Kristallografiya, 1993, 38, 61-65 |
1511206 | CIF | B La O5 Si | P 31 | 6.838; 6.838; 6.773 90; 90; 120 | 274.265 | Shuvaeva, V.A.; Belokoneva, E.L.; Leonyuk, N.I.; Antipin, M.Yu. Crystal structure of a high-temperature modification of La B Si O5, a synthetic analog of stillwellite Zhurnal Neorganicheskoi Khimii, 1996, 41, 1097-1101 |
1511603 | CIF | B6 Eu3.33 Gd3.63 Ge2 Nd3.33 O34 Sm3.71 | P 31 | 9.81; 9.81; 25.847 90; 90; 120 | 2154.16 | Palkina, K.K.; Dzhurinskii, B.F.; Kvardakov, A.M.; Sanygin, V.P.; Kuz'mina, N.E.; Pobedina, A.B. Crystal structure of the oxoboratogermanate Ndx Smy Euz Gd14-x-y-z Ge2 B6 O34 Zhurnal Neorganicheskoi Khimii, 2000, 45, 1781-1785 |
1511610 | CIF | B6 Ge2 La4 O34 Tb10 | P 31 | 9.805; 9.805; 25.868 90; 90; 120 | 2153.72 | Dzhurinskii, B.F.; Kvardakov, A.M.; Sanygin, V.P.; Kuz'mina, N.E.; Palkina, K.K.; Pobedina, A.B. Oxoboratogermanate Lax Tb14-x (Ge O4)2 (B O3)6 (O8) Zhurnal Neorganicheskoi Khimii, 2001, 46, 539-544 |
1511611 | CIF | B6 Ge2 Nd14 O34 | P 31 | 9.945; 9.945; 25.992 90; 90; 120 | 2226.28 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of Ln14(GeO4)2(BO3)6O8 (Ln=Nd,Sm) and Tb(3+)54Tb(4+)(GeO4)12O59 Zhurnal Neorganicheskoi Khimii, 1994, 39, 556-563 |
1511612 | CIF | B6 Ge2 O34 Sm14 | P 31 | 9.818; 9.818; 25.828 90; 90; 120 | 2156.09 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of Ln14(GeO4)2(BO3)6O8 (Ln=Nd,Sm) and Tb(3+)54Tb(4+)(GeO4)12O59 Zhurnal Neorganicheskoi Khimii, 1994, 39, 556-563 |
1512151 | CIF | C18 H15 F4 N O4 S | P 31 | 12.2496; 12.2496; 10.3796 90; 90; 120 | 1348.8 | Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams Organic Letters, 2013, 15, 3686 |
1512967 | CIF | C39 H29 O3 P S6 Zn | P 31 | 13.0176; 13.0176; 19.955 90; 90; 120 | 2928.5 | Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper Inorganica Chimica Acta, 2013, 396, 6-9 |
1513362 | CIF | C19 H22 N2 O2 | P 31 | 11.4602; 11.4602; 10.0616 90; 90; 120 | 1144.41 | Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F. Journal of natural products, 2014, 77, 327-338 |
1514557 | CIF | C67 H81 B Fe Na O7 P3 | P 31 | 13.1184; 13.1184; 31.059 90; 90; 120 | 4628.9 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514617 | CIF | C17 H31 Cl N2 O6 | P 31 | 32.591; 32.591; 5.1877 90; 90; 120 | 4772 | Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science, 2013, 4, 4494 |
1515376 | CIF | F24 Na6 Sc6 | P 31 | 12.9659; 12.9659; 9.2692 90; 90; 120 | 1349.52 | Ai, Yu; Tu, Datao; Zheng, Wei; Liu, Yongsheng; Kong, Jintao; Hu, Ping; Chen, Zhuo; Huang, Mingdong; Chen, Xueyuan Lanthanide-doped NaScF4 nanoprobes: crystal structure, optical spectroscopy and biodetection. Nanoscale, 2013, 5, 6430-6438 |
1521068 | CIF | Ca1.89 O7 Sm0.16 Ta1.86 Ti0.1 | P 31 | 7.353; 7.353; 30.264 90; 90; 120 | 1417.05 | Grey, I.E.; Roth, R.S. New calcium tantalate polytypes in the system Ca2 Ta2 O7 Sm2 Ti2 O7 Journal of Solid State Chemistry, 2000, 150, 167-177 |
1525819 | CIF | N O3 Rb | P 31 | 10.067; 10.067; 7.053 90; 90; 120 | 619.02 | Liu, J.; Mei, W.N.; Ossowski, M.M.; Duan, C.-G.; Smith, R.W.; Hardy, J.R. Molecular dynamics simulation of structural phase transitions in Rb N O3 and Cs N O3 Journal of Solid State Chemistry, 2001, 160, 222-229 |
1525821 | CIF | Cs N O3 | P 31 | 10.492; 10.492; 7.389 90; 90; 120 | 704.422 | Liu, J.; Hardy, J. R.; Duan, C.-G.; Mei, W. N.; Smith, R. W.; Ossowski, M. M. Molecular dynamics simulation of structural phase transitions in RbN O3 and Cs N O3 Journal of Solid State Chemistry, 2001, 160, 222-229 |
1528313 | CIF | Fe7 Se8 | P 31 | 7.17; 7.17; 17.46 90; 90; 120 | 777.344 | Andresen, A.F.; Leciejewicz, J. A neutron diffraction study of Fe7 Se8 Journal de Physique (Paris), 1964, 25, 574-578 |
1529871 | CIF | C63 H57 N6 O9 P3 | P 31 | 13.914; 13.914; 28.339 90; 90; 120 | 4751.4 | Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution. Organic letters, 2015, 17, 3650-3653 |
1531061 | CIF | Hg3 O6 S | P 31 | 7.048; 7.048; 10.0194 90; 90; 120 | 431.027 | Ahmed, M.A.K.; Fjellvag, H.; Kjekshus, A. On synthesis, structure and thermal stability of mercury and lead sulfates and oxide sulfates Thermochimica Acta, 2002, 390, 113-121 |
1536031 | CIF | Na3 O5 Re | P 31 | 5.5439; 5.5439; 13.5795 90; 90; 120 | 361.447 | Vielhaber, E.; Hoppe, R. Ueber Perrhenate. 3: Zum Aufbau des Mesoperrhenates Na3(ReO5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 610, 7-14 |
1536510 | CIF | Cu7 Li7 Si5 | P 31 | 14.174; 14.174; 13.527 90; 90; 120 | 2353.51 | Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K. Crystal structure of Li7 Cu7 Si5 Kristallografiya, 1995, 40, 180-182 |
1536597 | CIF | Ga0.87 In5.13 Na2 Se10 | P 31 | 24.363; 24.363; 17.298 90; 90; 120 | 8891.77 | Kienle, L.; Deiseroth, H.J.; Duppel, V.; Simon, A. Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 443-453 |
1537124 | CIF | C3.72 Ti5.73 | P 31 | 3.06; 3.06; 14.91 90; 90; 120 | 120.907 | Kukol', V.V.; Khaenko, B.V.; Gnitetskii, O.A. Existence and regular arrangement of metal vacancies in ordered modification of titanium carbide Kristallografiya, 1995, 40, 75-78 |
1540466 | CIF | C38.5 H52 O10.5 | P 31 | 18.4501; 18.4501; 9.9236 90; 90; 120 | 2925.5 | Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V. Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia. Journal of natural products, 2015, 78, 2726-2730 |
1540819 | CIF | C5 V6 | P 31 | 5.09; 5.09; 14.4 90; 90; 120 | 323.094 | Venables, J.D.; Kahn, D.; Lye, R.G. Structure of the ordered compound V6 C5 Philosophical Magazine, Serie 6 (1901-1925), 1968, 18, 177-192 |
1541709 | CIF | C4 H O4 Re | P 31 | 14.9733; 14.9733; 6.9984 90; 90; 120 | 1358.83 | Masciocchi, N.; Sironi, A.; d'Alfonso, G.; Garavaglia, L. Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane Angew. Chem. Int. ed., 2000, 39, 4478-4480 |
1541785 | CIF | H8 N7 O15 Tm | P 31 | 11.2496; 11.2496; 9.316 90; 90; 120 | 1021.02 | Manek, E.; Meyer, G. Synthese und Struktur der ternaeren Ammoniumnitrate (N H4)2 (M (N O3)5) (M= Tb - Lu, Y) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1237-1240 |
1544951 | CIF | C16 H22 O3 | P 31 | 14.6149; 14.6149; 6.24615 90; 90; 120 | 1155.41 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
1545277 | CIF | C18 H26 N2 O4 | P 31 | 9.4759; 9.4759; 16.7019 90; 90; 120 | 1298.79 | Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155 |
1545369 | CIF | C19 H30 B N O3 | P 31 | 9.7577; 9.7577; 17.8748 90; 90; 120 | 1473.9 | Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529 |
1547386 | CIF | C28 H33 Au Cl Fe P | P 31 | 9.7478; 9.7478; 23.296 90; 90; 120 | 1917 | Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012 |
1547684 | CIF | C18 H31.5 O1.12 | P 31 | 23.112; 23.112; 7.0532 90; 90; 120 | 3262.8 | Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017 |
1548482 | CIF | C24 H26 F3 N3 O2 S | P 31 | 18.8083; 18.8083; 5.8941 90; 90; 120 | 1805.71 | Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade Angewandte Chemie International Edition Engl., 2016, 55, 12650-12654 |
1551011 | CIF | C28 H20 O2 | P 31 | 9.3566; 9.3566; 19.436 90; 90; 120 | 1473.6 | Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures Chemical Science, 2019 |
1551232 | CIF | C30 H41 B N7 O2 P W | P 31 | 10.6921; 10.6921; 25.0214 90; 90; 120 | 2477.24 | Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F. Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 10628-10641 |
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