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 |
2201492 | CIF HKL Paper | C68 H70 N4 O5 | P 31 | 12.3595; 12.3595; 31.1411 90; 90; 120 | 4119.71 | Fagnou, Keith; Lautens, Mark; Lough, Alan J. (1<i>R</i>*,2<i>R</i>*)-2-(Methylphenylamino)-1,2-dihydronaphthalen-1-ol‒water (4/1) Acta Crystallographica Section E, 2002, 58, o1449-o1451 |
2201882 | CIF HKL Paper | C7 H10 Cl3 N O4 | P 31 | 9.7541; 9.7541; 10.089 90; 90; 120 | 831.3 | K. Rajagopal; R. V. Krishnakumar; A. Mostad; S. Natarajan <small>L</small>-Prolinium trichloroacetate at 105K Acta Crystallographica Section E, 2003, 59, o277-o279 |
2202569 | CIF HKL Paper | C7 H10 O5 | P 31 | 11.532; 11.532; 5.328 90; 90; 120 | 613.6 | Blann, Kevin; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred (1<i>R</i>*,5<i>R</i>*,6<i>S</i>*,7<i>R</i>*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one Acta Crystallographica Section E, 2003, 59, o1551-o1553 |
2202728 | CIF HKL Paper | C20 H25 Fe N O5 | P 31 | 11.414; 11.414; 26.7688 90; 90; 120 | 3020.2 | Kraatz, Heinz-Bernhard; Sutherland, Todd C.; Appoh, Francis E. <i>N</i>-Ferrocenoyl-labelled glutamate diethyl ester Acta Crystallographica Section E, 2003, 59, m1174-m1175 |
2211497 | CIF HKL Paper | C28 H36 O4 | P 31 | 10.818; 10.818; 17.984 90; 90; 120 | 1822.7 | R. Malathi; S. S. Rajan; M. Sivarama Krishnan; Geetha Gopalakrishnan; G. Suresh Azadirone Acta Crystallographica Section E, 2006, 62, o5694-o5696 |
2211890 | CIF HKL Paper | C9 H17 N O3 | P 31 | 11.4494; 11.4494; 6.1727 90; 90; 120 | 700.76 | Håkansson, Anders E.; Horne, Graeme; Fleet, George W.J.; Watkin, David J. (6<i>S</i>)-Methyl-<small>L</small>-swainsonine [(1<i>R</i>,2<i>S</i>,6<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-methyloctahydroindolizine-1,2,8-triol] Acta Crystallographica Section E, 2007, 63, o210-o212 |
2215302 | CIF HKL Paper | C15 H14 Ag N S2 | P 31 | 15.6505; 15.6505; 5.012 90; 90; 120 | 1063.2 | Xia Yin; Mu-Biao Xie; Wei-Guang Zhang; Jun Fan Poly[(μ~3~-<i>N</i>,<i>N</i>-dibenzyldithiocarbamato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>:<i>S</i>')silver(I)] Acta Crystallographica Section E, 2007, 63, m2273-m2273 |
2222960 | CIF HKL Paper | C11 H19 N3 O3 S | P 31 | 9.7915; 9.7915; 13.8581 90; 90; 120 | 1150.62 | Mehmood, Tahir; Zaidi, Javid H.; Jones, Peter G. <i>tert</i>-Butyl <i>N</i>-[1-diazoacetyl-3-(methylsulfanyl)propyl]carbamate Acta Crystallographica Section E, 2009, 65, o2120-o2121 |
2223668 | CIF HKL Paper | C12 H24 Cl Na O12 | P 31 | 16.3795; 16.3795; 17.4232 90; 90; 120 | 4048.2 | Wong, K. C.; Hamid, Abdul; Baharuddin, S.; Quah, Ching Kheng; Fun, Hoong-Kun <i>catena</i>-Poly[[sodium-di-μ-β-<small>D</small>-glucose] chloride] Acta Crystallographica Section E, 2009, 65, m1308-m1309 |
2229707 | CIF HKL Paper | C15 H14 N2 | P 31 | 9.56; 9.56; 11.2569 90; 90; 120 | 890.97 | Valkonen, Arto; Kolehmainen, Erkki; Zakrzewska, Anna; Skotnicka, Agnieszka; Gawinecki, Ryszard 2-Methyl-4-phenyl-3,4-dihydroquinazoline Acta Crystallographica Section E, 2011, 67, o923-o924 |
2230096 | CIF HKL Paper | C13 H11 Cu N2 O2 | P 31 | 9.7894; 9.7894; 10.483 90; 90; 120 | 870 | Lou, Benyong Poly[{μ~3~-3-[4-(1<i>H</i>-imidazol-1-ylmethyl)phenyl]prop-2-enoato-κ<i>N</i>:η^2^:κ<i>O</i>}copper(I)] Acta Crystallographica Section E, 2011, 67, m640 |
2233563 | CIF HKL Paper | C11 H11 N3 O2 | P 31 | 10.1178; 10.1178; 8.9971 90; 90; 120 | 797.64 | Wang, Gai-Gai; Zhao, Hong 1-Benzyl-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid Acta Crystallographica Section E, 2012, 68, o322 |
2234274 | CIF HKL Paper | C24 H23 N O3 | P 31 | 8.9579; 8.9579; 21.187 90; 90; 120 | 1472.4 | Shao, Bo; Wang, Hai-Bin (<i>R</i>)-1,1'-Binaphthalene-2,2'-diol‒(<i>Z</i>)-<i>N</i>-ethylideneethanamine <i>N</i>-oxide (1/1) Acta Crystallographica Section E, 2012, 68, o948 |
2241901 | CIF HKL Paper | C15 H24 O2 | P 31 | 14.4357; 14.4357; 6.0404 90; 90; 120 | 1090.11 | Aranburu Leiva, Ane I.; Benjamin, Sophie L.; Langley, Stuart K.; Mewis, Ryan E. Crystal structure of 2,4-di-<i>tert</i>-butyl-6-(hydroxymethyl)phenol Acta Crystallographica Section E, 2016, 72, 1614-1617 |
2310678 | CIF | Fe4 H5 O9 Si | P 31 | 5.49; 5.49; 21.21 90; 90; 120 | 553.625 | Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967), 1963, 16, 1-8 |
2310732 | CIF | B2 O3 | P 31 | 4.325; 4.325; 8.317 90; 90; 120 | 134.732 | Berger, S.V. The Crystal Structure of B2 O3 Acta Crystallographica (1,1948-23,1967), 1952, 5, 389-389 |
2311266 | CIF | C19 H18 N2 | P 31 | 12.094; 12.094; 8.551 90; 90; 120 | 1083.1 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
4002257 | CIF | Co K2 O52 W12 | P 31 | 18.937; 18.937; 12.484 90; 90; 120 | 3877.1 | Muncaster, G.; Thomas, J.M.; Catlow, C.R.A.; Sankar, G.; Coles, S.J.; Hursthouse, M. The local structure of tetrahedral Co(III): a detailed crystal structure investigation of K5 Co(III) W12 O40 . 20(H2 O) Chemistry of Materials (1,1989-), 2000, 12, 16-18 |
4002845 | CIF | C5 H7 Cl Co3 O11 | P 31 | 12.0903; 12.0903; 7.5333 90; 90; 120 | 953.65 | Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials, 2017, 29, 7716 |
4002846 | CIF | C5 H7 Cl Ni3 O11 | P 31 | 11.9286; 11.9286; 7.3887 90; 90; 120 | 910.5 | Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials, 2017, 29, 7716 |
4002847 | CIF | C5 H7 Cl Fe3 O11 | P 31 | 12.2116; 12.2116; 7.5739 90; 90; 120 | 978.13 | Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials, 2017, 29, 7716 |
4020451 | CIF | C17 H16 N2 O6 | P 31 | 8.976; 8.976; 17.269 90; 90; 120 | 1204.9 | Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H. Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins Journal of Organic Chemistry, 2005, 70, 6369-6377 |
4020807 | CIF | C15 H25 N O4 | P 31 | 9.8807; 9.8807; 14.949 90; 90; 120 | 1263.92 | J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor Journal of Organic Chemistry, 2004, 69, 130-141 |
4021449 | CIF | C13 H17 N O2 S | P 31 | 11.08; 11.08; 9.6707 90; 90; 120 | 1028.2 | Anna Arefalk; Johan Wannberg; Mats Larhed; Anders Hallberg Stereoselective Synthesis of 3-Aminoindan-1-ones and Subsequent Incorporation into HIV-1 Protease Inhibitors Journal of Organic Chemistry, 2006, 71, 1265-1268 |
4021606 | CIF | C19 H29 N O3 S3 | P 31 | 10.556; 10.556; 16.477 90; 90; 120 | 1590 | Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds Journal of Organic Chemistry, 2006, 71, 2715-2725 |
4023034 | CIF | C23 H15 N3 | P 31 | 13.416; 13.416; 8.1117 90; 90; 120 | 1264.41 | Michael Jäger; Lars Eriksson; Jonas Bergquist; Olof Johansson Synthesis and Characterization of 2,6-Di(quinolin-8-yl)pyridines. New Ligands for Bistridentate Ru^II^ Complexes with Microsecond Luminescent Lifetimes Journal of Organic Chemistry, 2007, 72, 10227-10230 |
4023381 | CIF | C29 H34 O9 | P 31 | 12.589; 12.589; 29.785 90; 90; 120 | 4088.1 | W. Sean Fyvie; Mark W. Peczuh Diastereoselectivity in Epoxidation of Carbohydrate Fused [13]-Macro-dilactones Journal of Organic Chemistry, 2008, 73, 3626-3629 |
4027840 | CIF | C9 H16 O | P 31 | 10.515; 10.515; 6.565 90; 90; 120 | 628.6 | Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol Journal of Organic Chemistry, 2013, 78, 311-319 |
4028183 | CIF | C16 H15 I O2 | P 31 | 11.6678; 11.6678; 9.4235 90; 90; 120 | 1111 | Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin Preparation and x-ray Structural Study of 1-Arylbenziodoxolones Journal of Organic Chemistry, 2013, 78, 3767-3773 |
4029232 | CIF | C11 H9 Cl F4 N2 O S | P 31 | 10.278; 10.278; 11.406 90; 90; 120 | 1043.5 | Yang, Kai; Liu, Li-Juan; Liu, Jin-Tao The synthesis and strecker reaction of 2-chlorotetrafluoroethanesulfinyl ketimines. The Journal of organic chemistry, 2014, 79, 3215-3220 |
4030604 | CIF | N5 O15 Rb2 Y | P 31 | 11.2376; 11.2376; 9.301 90; 90; 120 | 1017.2 | Manek, E.; Meyer, G. Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and Rb2[M(NO3)5] (M = Eu-Lu, Y) European Journal of Solid State and Inorganic Chemistry, 1993, 30, 883-894 |
4031167 | CIF | C14 H22 O5 | P 31 | 15.15; 15.15; 5.685 90; 90; 120 | 1130 | Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S. Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development. The Journal of organic chemistry, 2015, 80, 7019-7032 |
4031795 | CIF | N5 O15 Rb2 Y | P 31 | 11.239; 11.239; 9.419 90; 90; 120 | 1030.36 | Manek, E.; Meyer, G. Ternary rubidium rare-earth nitrates: Rb3 (M2 (N O3)9) (M= lanthanum, praseodymium, samarium) and Rb2 (M (N O3)5) (M= europium, lutetium, yttrium) European Journal of Solid State Inorganic Chemistry, 1993, 30, 883-894 |
4033469 | CIF | C30 H32 O5 | P 31 | 18.8918; 18.8918; 6.39506 90; 90; 120 | 1976.61 | Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H. Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals. The Journal of organic chemistry, 2018, 83, 2154-2165 |
4034087 | CIF | C17 H13 N S | P 31 | 9.7128; 9.7128; 12.1114 90; 90; 120 | 989.5 | Lee, Woohyeong; Shin, Changhoon; Park, Soo Eun; Joo, Jung Min Regio- and Stereoselective Synthesis of Thiazole-Containing Triarylethylenes by Hydroarylation of Alkynes. The Journal of organic chemistry, 2019, 84, 12913-12924 |
4034345 | CIF | C23 H29 F3 N2 O9 S2 | P 31 | 14.4545; 14.4545; 11.1066 90; 90; 120 | 2009.64 | Kaneko, Hiroki; Takahashi, Shunsuke; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu Asymmetric Total Synthesis of Fawcettimine-Type Lycopodium Alkaloid, Lycopoclavamine-A. The Journal of organic chemistry, 2019, 84, 5645-5654 |
4034803 | CIF | C14 H18 O2 | P 31 | 13.5592; 13.5592; 5.6888 90; 90; 120 | 905.77 | Scholl, Katie; Dillashaw, John; Timpy, Evan; Lam, Yu-Hong; DeRatt, Lindsey; Benton, Tyler R.; Powell, Jacqueline P.; Houk, K. N.; Morgan, Jeremy B. Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation. The Journal of organic chemistry, 2018, 83, 5756-5765 |
4035153 | CIF | C11 H12 Cl N O2 | P 31 | 9.9808; 9.9808; 9.5853 90; 90; 120 | 826.93 | Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion. The Journal of organic chemistry, 2018, 83, 3159-3163 |
4037371 | CIF | C28 H28 O3 Si | P 31 | 10.3861; 10.3861; 19.4684 90; 90; 120 | 1818.7 | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins. The Journal of organic chemistry, 2016, 81, 11043-11056 |
4037662 | CIF | C2 H5 N O2 | P 31 | 7.0167; 7.0167; 5.4894 90; 90; 120 | 234.06 | Brunner, Henri; Tsuno, Takashi; Balázs, Gábor Chiral Selectivity in the Achiral Amino Acid Glycine. The Journal of organic chemistry, 2019 |
4038254 | CIF | C19 H19 N O4 | P 31 | 8.652; 8.652; 19.0082 90; 90; 120 | 1232.27 | Maertens, Gaetan; Deruer, Elsa; Denis, Maxime; Canesi, Sylvain Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids. The Journal of organic chemistry, 2020 |
4061396 | CIF | C38 H58 N2 O Ti | P 31 | 29.025; 29.025; 12.17 90; 90; 120 | 8879 | Organometallics, 2005 |
4069162 | CIF | C47 H47 Fe O2 P2 Rh | P 31 | 11.3556; 11.3556; 26.4314 90; 90; 120 | 2951.69 | Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A. Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation Organometallics, 2009, 28, 2993 |
4076510 | CIF | C24 H25 N3 S | P 31 | 9.2617; 9.2617; 20.5439 90; 90; 120 | 1526.14 | Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones Organometallics, 2012, 31, 2001 |
4076865 | CIF | C28 H50 B8 Fe2 S | P 31 | 18.6124; 18.6124; 7.8924 90; 90; 120 | 2367.8 | Russell, J. Monte; Sabat, Michal; Grimes, Russell N. Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters Organometallics, 2002, 21, 4113 |
4079575 | CIF | C32 H27 B F18 O3 | P 31 | 14.4884; 14.4884; 14.8018 90; 90; 120 | 2690.8 | Lai, Yu-Ying; Bornand, Marc; Chen, Peter Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts Organometallics, 2012, 31, 7558 |
4080427 | CIF | C19 H25 Cl2 P Ru | P 31 | 11.845; 11.845; 11.7329 90; 90; 120 | 1425.63 | Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia [RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA Organometallics, 2013, 32, 2344 |
4082463 | CIF | C48 H70 B Li O2 P2 | P 31 | 18.2343; 18.2343; 11.9109 90; 90; 120 | 3429.68 | Parker, Evelyne; Cramer, Nicolai Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands Organometallics, 2014, 33, 780 |
4086328 | CIF | C35 H47 Ir O2 P2 | P 31 | 15.4739; 15.4739; 11.8879 90; 90; 120 | 2465.1 | Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism Organometallics, 2015 |
4086329 | CIF | C35 H50 O P2 Pt | P 31 | 15.5042; 15.5042; 11.8599 90; 90; 120 | 2468.9 | Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism Organometallics, 2015 |
4101209 | CIF | C18 H33 N O4 | P 31 | 16.803; 16.803; 5.941 90; 90; 120 | 1452.7 | Journal of the American Chemical Society, 2006 |
4101714 | CIF | C22 H20 N4 Pb3 S6 | P 31 | 9.5123; 9.5123; 26.472 90; 90; 120 | 2074.4 | Turner, Dayna L.; Vaid, Thomas P.; Stephens, Peter W.; Stone, Kevin H.; DiPasquale, Antonio G.; Rheingold, Arnold L. Semiconducting lead-sulfur-organic network solids. Journal of the American Chemical Society, 2008, 130, 14-15 |
4105244 | CIF | C16 H15 Cl O | P 31 | 14.0829; 14.0829; 5.9129 90; 90; 120 | 1015.58 | Lucie E. Zimmer; André B. Charette Enantioselective Synthesis of 1,2,3-Trisubstituted Cyclopropanes Usinggem-Dizinc Reagents Journal of the American Chemical Society, 2009, 131, 15624-15626 |
4106093 | CIF | C28 H35 Li N2 O2 | P 31 | 9.9517; 9.9517; 21.757 90; 90; 120 | 1866.1 | Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides Journal of the American Chemical Society, 2011, 133, 7084-7095 |
4106546 | CIF | C11 H11 N O5 Sr | P 31 | 10.62017; 10.62017; 9.84171 90; 90; 120 | 961.31 | Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology Journal of the American Chemical Society, 2011, 133, 12330-12333 |
4106547 | CIF | C11 H11 N O5 Sr | P 31 | 10.6396; 10.6396; 9.8731 90; 90; 120 | 967.91 | Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology Journal of the American Chemical Society, 2011, 133, 12330-12333 |
4106548 | CIF | C11 H11 N O5 Sr | P 31 | 10.6123; 10.6123; 9.8289 90; 90; 120 | 958.64 | Chen Pan; Jiangpu Nan; Xueliang Dong; Xiao-Ming Ren; Wanqin Jin A Highly Thermally Stable Ferroelectric Metal-Organic Framework and Its Thin Film with Substrate Surface Nature Dependent Morphology Journal of the American Chemical Society, 2011, 133, 12330-12333 |
4106787 | CIF | C25 H27 N3 S | P 31 | 11.4229; 11.4229; 14.1312 90; 90; 120 | 1596.84 | Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions Journal of the American Chemical Society, 2011, 133, 14578-14581 |
4109571 | CIF | C50.5 H53.5 Cu2 N4 O12.5 | P 31 | 18.2101; 18.2101; 14.2785 90; 90; 120 | 4100.5 | Jungseok Heo; You-Moon Jeon; Chad A. Mirkin Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers Journal of the American Chemical Society, 2007, 129, 7712-7713 |
4110255 | CIF | K2 P2 Se6 | P 31 | 14.4916; 14.4916; 18.7999 90; 90; 120 | 3419.2 | In Chung; Christos D. Malliakas; Joon I. Jang; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis Helical Polymer 1/\ιnfty[P2Se62-]: Strong Second Harmonic Generation Response and Phase-Change Properties of Its K and Rb Salts Journal of the American Chemical Society, 2007, 129, 14996-15006 |
4110740 | CIF | C20 H23.3333 N O3 S | P 31 | 16.0529; 16.0529; 13.3484 90; 90; 120 | 2979 | Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions Journal of the American Chemical Society, 2006, 128, 9722-9729 |
4110931 | CIF | C75 H58 B F24 Ir N O P | P 31 | 13.046; 13.046; 36.506 90; 90; 120 | 5381 | Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure Journal of the American Chemical Society, 2006, 128, 12886-12891 |
4111285 | CIF | C26 H28 K O8 | P 31 | 15.283; 15.283; 9.112 90; 90; 120 | 1843.2 | Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs Journal of the American Chemical Society, 2006, 128, 16708-16719 |
4112255 | CIF | C13 H20 O5 | P 31 | 12.843; 12.843; 7.107 90; 90; 120 | 1015.2 | Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes A Concise Synthesis of the Octalactins Journal of the American Chemical Society, 2004, 126, 2194-2207 |
4113474 | CIF | C26 H46 Cl16 N6 O2 P2 Sn | P 31 | 10.332; 10.332; 39.809 90; 90; 120 | 3680.3 | Scott E. Denmark; Jiping Fu Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes Journal of the American Chemical Society, 2003, 125, 2208-2216 |
4114560 | CIF | C54 H70 Ag2 N8 O6 | P 31 | 16.688; 16.688; 16.208 90; 90; 120 | 3909 | Yong Cui; Chuan He Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound Journal of the American Chemical Society, 2003, 125, 16202-16203 |
4115963 | CIF | C19 H24 N O3 P | P 31 | 12.417; 12.417; 10.912 90; 90; 120 | 1457 | Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes Journal of the American Chemical Society, 2000, 122, 3135-3150 |
4118475 | CIF | C9 H12 O4 S | P 31 | 12.3447; 12.3447; 5.9591 90; 90; 120 | 786.45 | Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts Journal of the American Chemical Society, 2012, 134, 12912-12915 |
4119842 | CIF | C10 H9 Br O4 | P 31 | 9.3846; 9.3846; 10.7179 90; 90; 120 | 817.47 | Michael Wilking; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Ulrich Hennecke Enantioselective, Desymmetrizing Bromolactonization of Alkynes Journal of the American Chemical Society, 2013, 135, 8133-8136 |
4121664 | CIF | C35 H45 Br O8 | P 31 | 13.9788; 13.9788; 14.9179 90; 90; 120 | 2524.52 | McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S. Development of a Concise Synthesis of (+)-Ingenol. Journal of the American Chemical Society, 2014, 136, 5799 |
4122669 | CIF | C46 H44 B F4 N O2 | P 31 | 10.0798; 10.0798; 31.705 90; 90; 120 | 2789.7 | Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group. Journal of the American Chemical Society, 2014, 136, 14263 |
4125540 | CIF | C19 H14 Br N O4 | P 31 | 18.09886; 18.09886; 13.84162 90; 90; 120 | 3926.63 | Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy. Journal of the American Chemical Society, 2017, 139, 2140-2143 |
4126662 | CIF | C10 H16 O4 | P 31 | 12.007; 12.007; 6.4662 90; 90; 120 | 807.3 | Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization. Journal of the American Chemical Society, 2017 |
4130349 | CIF | C20 H16 Mn N4 O5 S | P 31 | 9.1358; 9.1358; 21.2002 90; 90; 120 | 1532.37 | Jeon, Ie-Rang; Sun, Lei; Negru, Bogdan; Van Duyne, Richard P.; Dincă, Mircea; Harris, T. David Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn(II) Chain Compound. Journal of the American Chemical Society, 2016, 138, 6583-6590 |
4130774 | CIF | C19 H22 O5 | P 31 | 15.2396; 15.2396; 6.5378 90; 90; 120 | 1314.95 | Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S. 11-Step Total Synthesis of (-)-Maoecrystal V. Journal of the American Chemical Society, 2016, 138, 9425-9428 |
4131082 | CIF | C48 H54 F12 N6 O2 S2 | P 31 | 11.8419; 11.8419; 31.7379 90; 90; 120 | 3854.35 | Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. Journal of the American Chemical Society, 2016, 138, 13525-13528 |
4134877 | CIF | C13 H20 O4 | P 31 | 9.3492; 9.3492; 13.5555 90; 90; 120 | 1026.11 | McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S. Total Synthesis of (-)-Maximiscin. Journal of the American Chemical Society, 2020 |
4300081 | CIF | C9 H27 O9 P3 Ru S5 | P 31 | 14.231; 14.227; 10.24 90.07; 90.15; 120.04 | 1795 | Md. Munkir Hossain; Kazuko Matsumoto Pentasulfide S52- as the First Tridentate Chelating Ligand in Ru(P(OE)3)3S5 (E = Me and Et) Inorganic Chemistry, 2000, 39, 247-250 |
4302840 | CIF | C20 H26 Cl2 Fe N10 O8 | P 31 | 13.724; 13.724; 12.867 90; 90; 120 | 2098.8 | Tetsuya Sato; Koshiro Nishi; Seiichiro Iijima; Masaaki Kojima; Naohide Matsumoto One-Step and Two-Step Spin-Crossover Iron(II) Complexes of ((2-Methylimidazol-4-yl)methylidene)histamine Inorganic Chemistry, 2009, 48, 7211-7229 |
4303047 | CIF | C15 H16 Ag B F4 N4 | P 31 | 9.245; 9.245; 17.4744 90; 90; 120 | 1293.44 | Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls Inorganic Chemistry, 2009, 48, 8404-8414 |
4303754 | CIF | C10 H28 F Ga3 N4 O21.5 P4 | P 31 | 13.0887; 13.0887; 29.8439 90; 90; 120 | 4427.71 | Sarah J. Choyke; Samuel M. Blau; Abigail A. Larner; Amy Narducci Sarjeant; Jeongho Yeon; P. Shiv Halasyamani; Alexander J. Norquist Noncentrosymmetry in New Templated Gallium Fluorophosphates Inorganic Chemistry, 2009, 48, 11277-11282 |
4303764 | CIF | C36.65 H60.6 Mo N2 O5.65 | P 31 | 17.0026; 17.0026; 13.616 90; 90; 120 | 3408.9 | Jeanette E. Ziegler; Guodong Du; Philip E. Fanwick; Mahdi M. Abu-Omar An Efficient Method for the Preparation of Oxo Molybdenum Salalen Complexes and Their Unusual Use as Hydrosilylation Catalysts Inorganic Chemistry, 2009, 48, 11290-11296 |
4306791 | CIF | C20 H21 N2 O7.5 Zn | P 31 | 19.0583; 19.0583; 4.9557 90; 90; 120 | 1558.8 | Anna Arola-Arnal; Jordi Benet-Buchholz; Stephen Neidle; Ramón Vilar Effects of Metal Coordination Geometry on Stabilization of Human Telomeric Quadruplex DNA by Square-Planar and Square-Pyramidal Metal Complexes Inorganic Chemistry, 2008, 47, 11910-11919 |
4308022 | CIF | C36 H31 I N2 Pd | P 31 | 15.7499; 15.7499; 10.5822 90; 90; 120 | 2273.33 | Liqing Ma; Philip M. Imbesi; James B. Updegraff; Allen D. Hunter; John D. Protasiewicz Synthesis and Structural Studies of NCN Diimine Palladium Pincer Complexes Bearingm-Terphenyl Scaffolds Inorganic Chemistry, 2007, 46, 5220-5228 |
4311995 | CIF | C9 H12 Cl2 Cu N2 O S | P 31 | 6.956; 6.956; 21.791 90; 90; 120 | 913.1 | Eric L. Klein; Masood A. Khan; Robert P. Houser Synthesis, Characterization, and Reactivity of New Copper(II) Complexes of 2-Methylthio-N-(2-pyridylmethyl)acetamide Inorganic Chemistry, 2004, 43, 7272-7274 |
4321023 | CIF | C58 H74.5 N4 Ni O4.25 | P 31 | 18.2566; 18.2566; 15.9244 90; 90; 120 | 4596.57 | Zengmin Li; Chet Jablonski Synthesis, Characterization, and Structure of Macrocyclic Mono- and C2-Symmetric, Binuclear Nickel Calixsalen Complexes Inorganic Chemistry, 2000, 39, 2456-2461 |
4321899 | CIF | C24 H22 N10 O3 Pd S2 | P 31 | 10.749; 10.749; 19.872 90; 90; 120 | 1988.4 | Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction Inorganic Chemistry, 1999, 38, 1719-1724 |
4322225 | CIF | C27 H63 Cl5 P3 Re2 | P 31 | 11.0686; 11.0686; 28.069 90; 90; 120 | 2978.1 | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry Inorganic Chemistry, 1999, 38, 3889-3894 |
4326114 | CIF | C70 H93 Ag3 B3 F12 N13 O7 | P 31 | 12.5762; 12.5762; 42.7806 90; 90; 120 | 5859.71 | Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters Inorganic Chemistry, 2011, 50, 8465-8476 |
4326953 | CIF HKL | Bi2 O7 Sn2 | P 31 | 7.58033; 7.58033; 37.1321 90; 90; 120 | 1847.81 | Ashkan Salamat; Andrew L. Hector; Paul F. McMillan; Clemens Ritter Structure, Bonding, and Phase Relations in Bi2Sn2O7 and Bi2Ti2O7 Pyrochlores: New Insights from High Pressure and High Temperature Studies Inorganic Chemistry, 2011, 50, 11905-11913 |
4327988 | CIF | C60 H28 Er2 F36 N2 O20 S8 | P 31 | 17.91; 17.91; 22.424 90; 90; 120 | 6229 | Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand Inorganic Chemistry, 2012, 51, 978-984 |
4328741 | CIF | C66 H60 Cl4 Ge Ir O2 P4 Rh | P 31 | 13.0777; 13.0777; 32.0219 90; 90; 120 | 4742.9 | Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group Inorganic Chemistry, 2012, 51, 4020-4034 |
4331953 | CIF | C23 H60 F12 N8 O6 P2 Pt2 Tl2 | P 31 | 11.3972; 11.3972; 30.955 90; 90; 120 | 3482.2 | Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction Inorganic Chemistry, 2006, 45, 5552-5560 |
4331954 | CIF | C22 H60 Cl2 N8 O14 Pt2 Tl2 | P 31 | 11.344; 11.344; 30.27 90; 90; 120 | 3373 | Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction Inorganic Chemistry, 2006, 45, 5552-5560 |
4332848 | CIF | C94 H217 Co18 N12 O77.5 | P 31 | 21.414; 21.414; 30.512 90; 90; 120 | 12117 | Alley, Kerwyn G.; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Güdel, Hans U.; Moubaraki, Boujemaa; Murray, Keith S.; Fernandez-Alonso, Felix; Abrahams, Brendan F.; Boskovic, Colette Mixed-Valent Cobalt Spin Clusters: a Hexanuclear Complex and a One-Dimensional Coordination Polymer Comprised of Alternating Hepta- and Mononuclear Fragments Inorganic Chemistry, 2006, 45, 8950-8957 |
4332940 | CIF | C24 H76 Cu2 N6 O30 P2 | P 31 | 14.451; 14.451; 20.6514 90; 90; 120 | 3734.9 | Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding Inorganic Chemistry, 2006, 45, 7973-7980 |
4334896 | CIF | C78 H85 F6 N9 O6 Pt2 S5 | P 31 | 17.5562; 17.5562; 21.389 90; 90; 120 | 5709.3 | Yang Cao; Michael O. Wolf; Brian O. Patrick A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions Inorganic Chemistry, 2013, 52, 5636-5638 |
4338965 | CIF | C23 H28 As Cl4 N Pd | P 31 | 10.1936; 10.1936; 22.6287 90; 90; 120 | 2036.32 | Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction. Inorganic chemistry, 2007, 46, 9488-9494 |
4343613 | CIF | C43 H27 F6 Ir N4 S2 | P 31 | 15.178; 15.178; 13.65 90; 90; 120 | 2723.3 | Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S. Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands. Inorganic chemistry, 2015, 54, 7122-7131 |
4345415 | CIF | C18 H18 N2 O6 U | P 31 | 16.7704; 16.7704; 18.8976 90; 90; 120 | 4602.8 | Thuéry, Pierre; Harrowfield, Jack Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality. Inorganic chemistry, 2017, 56, 1455-1469 |
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