Crystallography Open Database
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Searching space group like 'P 31'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 1551376 | CIF | C162 H84 N24 O18 | P 31 | 19.5973; 19.5973; 27.8613 90; 90; 120 | 9266.7 | Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry, 2014, 6, 779-784 |
| 1556259 | CIF | C18 H19 N3 O3 | P 31 | 11.1056; 11.1056; 11.3593 90; 90; 120 | 1213.29 | Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W. Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist Organic Process Research & Development, 2013, 17, 934 |
| 1556579 | CIF | C2 H5 N O2 | P 31 | 7.395; 7.395; 5.75 90; 90; 120 | 272.32 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1559765 | CIF | C15 H19 N3 O | P 31 | 22.0392; 22.0392; 7.1184 90; 90; 120 | 2994.36 | Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096 |
| 1562889 | CIF | C26 H30 O9 | P 31 | 11.4643; 11.4643; 16.5327 90; 90; 120 | 1881.78 | Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>. Journal of natural products, 2021 |
| 1563132 | CIF | C57 H51 Cl2 F4 Fe N3 | P 31 | 14.6606; 14.6606; 22.0189 90; 90; 120 | 4098.55 | Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study Catalysis Science & Technology, 2021, 11, 4605-4618 |
| 1565126 | CIF | C30 H21 Br N2 O2 | P 31 | 15.9745; 15.9745; 7.8531 90; 90; 120 | 1735.51 | Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls Chemical Science, 2021 |
| 1565501 | CIF | C26 H34 O7 | P 31 | 8.8916; 8.8916; 25.8071 90; 90; 120 | 1766.97 | Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18. Journal of natural products, 2021, 84, 2953-2960 |
| 1566521 | CIF | C64 H86 Cl2 N6 O6 | P 31 | 20.2894; 20.2894; 13.6577 90; 90; 120 | 4869.1 | Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science, 2022 |
| 1567703 | CIF | C28 H25 N O2 S | P 31 | 10.2503; 10.2503; 18.6428 90; 90; 120 | 1696.35 | Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes Chemical Science, 2022, 13, 12396-12402 |
| 1567735 | CIF | C2 H5 N O2 | P 31 | 6.9848; 6.9848; 5.4744 90; 90; 120 | 231.3 | Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy Crystals, 2022, 12, 1342 |
| 1567829 | CIF | C26 H35 N O3 S2 Si | P 31 | 18.235; 18.235; 7.1321 90; 90; 120 | 2053.8 | Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone Chemical Science, 2022 |
| 1568706 | CIF | C24 H24 Fe N2 O6 | P 31 | 10.1118; 10.1118; 18.832 90; 90; 120 | 1667.6 | Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains. Chemical science, 2023, 14, 4083-4090 |
| 1568710 | CIF | C24 H24 Fe N2 O6 | P 31 | 10.248; 10.248; 19.033 90; 90; 120 | 1731.1 | Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains. Chemical science, 2023, 14, 4083-4090 |
| 2000486 | CIF Paper | Er0.05 F4 K Y0.95 | P 31 | 14.075; 14.075; 10.115 90; 90; 120 | 1735.4 | Le Fur, Y.; Khaidukov, N. M.; Aléonard, S. Structure of KY~0.95~Er~0.05~F~4~ Acta Crystallographica Section C, 1992, 48, 2062-2064 |
| 2001072 | CIF Paper | C17 H10 Cl N3 | P 31 | 8.3291; 8.3291; 17.1142 90; 90; 120 | 1028.21 | Szkaradzinska, M. B.; Roszak, A. W.; Trudell, M. L.; Cook, J. M.; Codding, P. W. Structure of 2-chloro-7,12-dihydropyrido[3,2-<i>b</i>:5,4-<i>b</i>']diindole Acta Crystallographica Section C, 1992, 48, 382-384 |
| 2001117 | CIF Paper | C21 H30 Cl N2 O | P 31 | 11.086; 11.086; 14.367 90; 90; 120 | 1529.1 | McKenna, R.; Agbandje, M.; Neidle, S. Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C, 1992, 48, 188-190 |
| 2001650 | CIF Paper | C20 H14 O2 | P 31 | 10.808; 10.808; 10.883 90; 90; 120 | 1101 | Mori, K.; Masuda, Y.; Kashino, S. (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl Acta Crystallographica Section C, 1993, 49, 1224-1227 |
| 2001971 | CIF Paper | Cs N O3 | P 31 | 10.902; 10.902; 7.74 90; 90; 120 | 796.7 | Pohl, D.; Gross, T. Caesium nitrate (II) at 296 K Acta Crystallographica, Section C: Crystal Structure Communications, 1993, 49, 316-318 |
| 2002998 | CIF Paper | C57 H52 Cl O2 Os P3 | P 31 | 12.623; 12.623; 26.325 90; 90; 120 | 3632.7 | Herbst-Irmer, Regine; Sheldrick, George M. Refinement of Twinned Structures with <i>SHELXL</i>97 Acta Crystallographica Section B, 1998, 54, 443-449 |
| 2004188 | CIF Paper | C12 H10 N2 O | P 31 | 17.833; 17.833; 8.543 90; 90; 120 | 2352.8 | Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z. Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O Acta Crystallographica Section C, 1995, 51, 2309-2312 |
| 2005403 | CIF Paper | C18 H12 F3 P | P 31 | 12.428; 12.428; 8.753 90; 90; 120 | 1170.82 | bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K. Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine Acta Crystallographica Section C, 1996, 52, 2243-2245 |
| 2005934 | CIF Paper | C17 H20 N2 S | P 31 | 10.3144; 10.3144; 13.177 90; 90; 120 | 1214 | Bailey, P. J.; Grant, K. J.; Parsons, S. Bis[(<i>S</i>)-({-})-α-methylbenzyl]thiourea Acta Crystallographica Section C, 1997, 53, 247-248 |
| 2007473 | CIF Paper | C15 H26 O2 | P 31 | 14.225; 14.225; 5.9 90; 90; 120 | 1033.9 | Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun Cedranediol: a New Auxiliary for Asymmetric Homologation Acta Crystallographica Section C, 1998, 54, IUC9800027 |
| 2007893 | CIF Paper | C18 H15 Cl Cu P S3 | P 31 | 12.519; 12.519; 10.257 90; 90; 120 | 1392.2 | Jones, Peter G.; Fischer, Axel K.; Frolova, Lilya; Schmutzler, Reinhard Polymeric Chloro(triphenyl trithiophosphite)copper(I) Acta Crystallographica Section C, 1998, 54, 1842-1844 |
| 2011307 | CIF HKL Paper | C11 H12 O3 | P 31 | 9.121; 9.121; 10.576 90; 90; 120 | 761.97 | Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W. Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids Acta Crystallographica Section C, 2000, 56, 1148-1151 |
| 2012622 | CIF HKL Paper | C8 H21 N5 O6 Ru | P 31 | 7.93; 7.93; 20.21 90; 90; 120 | 1100.6 | Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E. A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) Acta Crystallographica Section C, 2002, 58, m235-m236 |
| 2014585 | CIF Paper | As Cr2 H K2 O10 | P 31 | 7.6931; 7.6931; 14.623 90; 90; 120 | 749.5 | Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C. K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I Acta Crystallographica Section C, 2004, 60, i113-i116 |
| 2014850 | CIF HKL Paper | C21 H28 O4 | P 31 | 7.297; 7.297; 30.304 90; 90; 120 | 1397.4 | Raja Dey; Vratislav Langer; P. Roychowdhury; S. Roychowdhury; M. G. B. Drew 21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione) Acta Crystallographica Section C, 2005, 61, o201-o203 |
| 2014883 | CIF HKL Paper | C11 H10 O2 | P 31 | 18.0861; 18.0861; 6.4388 90; 90; 120 | 1824 | Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane Acta Crystallographica Section C, 2005, 61, o221-o226 |
| 2016095 | CIF HKL Paper | C20 H16 | P 31 | 11.8823; 11.8823; 8.4426 90; 90; 120 | 1032.3 | Jones, Peter G.; Dix, Ina; Hopf, Henning C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern Acta Crystallographica Section C, 2007, 63, o468-o473 |
| 2016097 | CIF HKL Paper | C20 H16 | P 31 | 12.5475; 12.5475; 7.8705 90; 90; 120 | 1073.1 | Jones, Peter G.; Dix, Ina; Hopf, Henning C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern Acta Crystallographica Section C, 2007, 63, o468-o473 |
| 2017232 | CIF HKL Paper | C12 H7 Cl3 O2 | P 31 | 12.5225; 12.5225; 6.6809 90; 90; 120 | 907.293 | Ramos, Ana I.; Braga, Susana S.; Almeida Paz, Filipe A. Triclosan Acta Crystallographica Section C, 2009, 65, o404-o405 |
| 2017503 | CIF HKL Paper | C2 H5 N5 | P 31 | 7.3048; 7.3048; 6.9003 90; 90; 120 | 318.87 | Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N. A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1<i>H</i>-tetrazolide, and its copper(II) complex Acta Crystallographica Section C, 2010, 66, m22-m25 |
| 2017684 | CIF HKL Paper | C6 H14 N2 O | P 31 | 11.03798; 11.03798; 15.266 90; 90; 120 | 1610.78 | Wicher, Barbara; Gdaniec, Maria Polymorphs of DABCO monohydrate as structural analogues of NaCl Acta Crystallographica Section C, 2010, 66, o270-o273 |
| 2019364 | CIF | C18 H15 N O2 | P 31 | 12.294; 12.294; 15.945 90; 90; 120 | 2087.1 | Seetharaman, J.; Rajan, S. S. 7,10-Dimethoxybenzo[b]carbazole Acta Crystallographica Section C Crystal Structure Communications, 1995, 51, 676 |
| 2020139 | CIF | Cs N O3 | P 31 | 10.95; 10.95; 7.8 90; 90; 120 | 809.941 | Lucas, B. W. The structure (neutron) of phase II cesium nitrate at 298 K, Cs N O3 Acta Crystallographica, Section C: Crystal Structure Communications, 1983, 39, 1591-1594 |
| 2021310 | CIF HKL Paper | C11 H12 Br N O2 | P 31 | 9.9577; 9.9577; 9.8213 90; 90; 120 | 843.37 | Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Structures and energetic properties of 4-halobenzamides Acta Crystallographica Section C, 2018, 74 |
| 2021311 | CIF HKL Paper | C11 H12 Cl N O2 | P 31 | 9.9808; 9.9808; 9.5853 90; 90; 120 | 826.93 | Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Structures and energetic properties of 4-halobenzamides Acta Crystallographica Section C, 2018, 74 |
| 2021943 | CIF HKL Paper | C17 H16 N2 O4 S | P 31 | 8.3735; 8.3735; 20.0299 90; 90; 120 | 1216.25 | Shishkina, Svitlana V.; Ukrainets, Igor V.; Vashchenko, Olga V.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Petrushova, Lidiya A.; Sim, Galina Biological properties of two enantiomorphic forms of <i>N</i>-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam Acta Crystallographica Section C, 2020, 76, 69-74 |
| 2022416 | CIF Paper | C21 H16 F3 N3 O | P 31 | 17.1109; 17.1109; 5.4205 90; 90; 120 | 1374.41 | Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis Acta Crystallographica Section C, 2021, 77 |
| 2100425 | CIF Paper | C16 H26 O6 | P 31 | 18.685; 18.685; 12.2539 90; 90; 120 | 3705.03 | A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell (<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections Acta Crystallographica Section B, 2006, 62, 262-267 |
| 2103648 | CIF HKL Paper | C11 H22 N2 O6 | P 31 | 9.044; 9.044; 14.943 90; 90; 120 | 1058.5 | Saraswathi, N. T.; Manoj, N.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of <small>DL</small>- and <small>L</small>-lysine with glutaric acid Acta Crystallographica Section B, 2001, 57, 366-371 |
| 2105404 | CIF | B2 O3 | P 31 | 4.3358; 4.3358; 8.3397 90; 90; 120 | 135.775 | Gorres, B.T.; Montgomery, P.W.; Knutson, C.D.; Gurr, G.E. The crystal structure of trigonal diboron trioxide Acta Crystallographica B (24,1968-38,1982), 1970, 26, 906-915 |
| 2106197 | CIF | Fe7 S8 | P 31 | 6.8673; 6.8673; 17.062 90; 90; 120 | 696.839 | Fleet, M.E. The crystal structure of a pyrrhotite, (Fe7 S8) Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1864-1867 |
| 2107326 | CIF | N O3 Rb | P 31 | 10.474; 10.474; 7.443 90; 90; 120 | 707.137 | Pohl, J.; Pohl, D.; Adiwidjaja, G. Phase transition in rubidium nitrate at 346 K and structure at 296, 372, 413 and 437 K Acta Crystallographica B (39,1983-), 1992, 48, 160-166 |
| 2108195 | CIF HKL | C15 H19 N2 O2.5 S | P 31 | 8.4102; 8.4102; 36.562 90; 90; 120 | 2239.61 | Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B, 2017, 73, 1179-1193 |
| 2200722 | CIF HKL Paper | C20 H20 O5 | P 31 | 7.521; 7.521; 25.2821 90; 90; 120 | 1238.5 | Song, Qi; Billodeaux, Damon R.; Fronczek, Frank R.; Fischer, Nikolaus H. Futoenone, a neolignan from <i>Magnolia soulangiana</i> Acta Crystallographica Section E, 2001, 57, o1094-o1095 |
| 2201136 | CIF HKL Paper | C14 H13 Br N2 O | P 31 | 7.057; 7.057; 22.372 90; 90; 120 | 964.9 | Marciniak, Bernard; Pavlyuk, Volodymyr; Deska, Malgorzata 6-(2-Hydroxyethyl)benzo[<i>f</i>]-1,7-naphthyridin-6-ium bromide Acta Crystallographica Section E, 2002, 58, o489-o491 |
| 2201231 | CIF HKL Paper | C24 H56 N4 Si4 Zr | P 31 | 10.473; 10.473; 28.166 90; 90; 120 | 2675 | Jian-Feng Li; Lin-Hong Weng; Shu-Ping Huang; Hong-Bo Tong; Dian-Sheng Liu Bis[(1<i>R</i>,2<i>R</i>)-({-})-1,2-bis(trimethylsilylamino)cyclohexane(2{-})-κ^2^<i>N,N</i>']zirconium(IV) Acta Crystallographica Section E, 2002, 58, m510-m512 |
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