Search results

Formula: - C44 H36 O6 P2 -
Comments: 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 13(3) (2011) 362-365
Space group: P 31
Cell volume: 2563.01
Cell parameters: 15.7461; 15.7461; 11.9364; 90; 90; 120;

COD ID: 1503120
CIF file	Formula: - C44 H78 N6 O11 - Comments: Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones. Organic letters 12(15) (2010) 3564-3566 Space group: P 31 Cell volume: 11467 Cell parameters: 21.328; 21.328; 29.108; 90; 90; 120;

COD ID: 1503244

Formula: - C48 H52 Br2 N2 O12 -
Comments: 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 12(21) (2010) 4812-4815
Space group: P 31
Cell volume: 3497.8
Cell parameters: 13.1062; 13.1062; 23.513; 90; 90; 120;

COD ID: 1503336
CIF file	Formula: - C21 H18 Br N O2 - Comments: 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 12(24) (2010) 5768-5771 Space group: P 31 Cell volume: 1341.5 Cell parameters: 9.5081; 9.5081; 17.135; 90; 90; 120;

COD ID: 1503439
CIF file	Formula: - C35 H27 Cl2 N O5 - Comments: 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 12(5) (2010) 1008-1011 Space group: P 31 Cell volume: 5034 Cell parameters: 14.961; 14.961; 25.968; 90; 90; 120;

COD ID: 1503836
CIF file	Formula: - C26 H24 Br2 O2 - Comments: 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 11(7) (2009) 1611-1614 Space group: P 31 Cell volume: 1660.95 Cell parameters: 13.4765; 13.4765; 10.5602; 90; 90; 120;

COD ID: 1503921
CIF file	Formula: - C21 H22 N O1.5 S - Comments: 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 11(11) (2009) 2313-2316 Space group: P 31 Cell volume: 2676.8 Cell parameters: 9.7337; 9.7337; 32.624; 90; 90; 120;

COD ID: 1504481

Formula: - C44 H38 N2 O3 -
Comments: 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 10(3) (2008) 369-372
Space group: P 31
Cell volume: 7755
Cell parameters: 23.562; 23.562; 16.129; 90; 90; 120;

COD ID: 1506359
CIF file	Formula: - C57 H58 N2 O22 - Comments: 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 48(24) (2005) 7648-7657 Space group: P 31 Cell volume: 3711.12 Cell parameters: 15.6681; 15.6681; 17.4559; 90; 90; 120;

COD ID: 1506680

Formula: - C33 H55 N O4 -
Comments: 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 7(16) (2005) 3597-3600
Space group: P 31
Cell volume: 2469.2
Cell parameters: 14.9601; 14.9602; 12.7394; 90; 90; 120;

COD ID: 1511021
CIF file	Formula: - B Ce0.5 La0.5 O5 Si - Comments: MacDonald, D.J.; Burns, P.C.; della Ventura, G.; Parodi, G.C.; Hawthorne, F.C. The crystal structure of stillwellite Canadian Mineralogist 31 (1993) 147-152 Space group: P 31 Cell volume: 271.628 Cell parameters: 6.841; 6.841; 6.702; 90; 90; 120;

COD ID: 1511028
CIF file	Formula: - B Ce O5 Si - Comments: Voronkov, A.A.; Pyatenko, Yu.A. X-ray diffraction study of the atomic structure of stillwellite Ce B O (Si O4) Kristallografiya 12 (1967) 258-265 Space group: P 31 Cell volume: 272.262 Cell parameters: 6.85; 6.85; 6.7; 90; 90; 120;

COD ID: 1511171
CIF file	Formula: - B Ge La O5 - Comments: 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 26 (1990) 1105-1107 Space group: P 31 Cell volume: 293.583 Cell parameters: 7.02; 7.02; 6.879; 90; 90; 120;

COD ID: 1511175
CIF file	Formula: - B Ge O5 Pr - Comments: 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 10 (1998) 9975-9989 Space group: P 31 Cell volume: 286.801 Cell parameters: 6.9436; 6.9436; 6.8688; 90; 90; 120;

COD ID: 1511176
CIF file	Formula: - B Ge O5 Pr - Comments: 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 10 (1998) 9975-9989 Space group: P 31 Cell volume: 850.857 Cell parameters: 12.0202; 12.0202; 6.7999; 90; 90; 120;

COD ID: 1511205
CIF file	Formula: - B La O5 Si - Comments: Maksimov, B.A.; Genkina, E.A.; Samygina, V.R.; Leonyuk, N.I. Crystal structure of La-analog of stilvellite Kristallografiya 38 (1993) 61-65 Space group: P 31 Cell volume: 271.819 Cell parameters: 6.815; 6.815; 6.758; 90; 90; 120;

COD ID: 1511206
CIF file	Formula: - B La O5 Si - Comments: 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 41 (1996) 1097-1101 Space group: P 31 Cell volume: 274.265 Cell parameters: 6.838; 6.838; 6.773; 90; 90; 120;

COD ID: 1511603
CIF file	Formula: - B6 Eu3.33 Gd3.63 Ge2 Nd3.33 O34 Sm3.71 - Comments: 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 45 (2000) 1781-1785 Space group: P 31 Cell volume: 2154.16 Cell parameters: 9.81; 9.81; 25.847; 90; 90; 120;

COD ID: 1511610
CIF file	Formula: - B6 Ge2 La4 O34 Tb10 - Comments: 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 46 (2001) 539-544 Space group: P 31 Cell volume: 2153.72 Cell parameters: 9.805; 9.805; 25.868; 90; 90; 120;

COD ID: 1511611
CIF file	Formula: - B6 Ge2 Nd14 O34 - Comments: 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 39 (1994) 556-563 Space group: P 31 Cell volume: 2226.28 Cell parameters: 9.945; 9.945; 25.992; 90; 90; 120;

COD ID: 1511612
CIF file	Formula: - B6 Ge2 O34 Sm14 - Comments: 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 39 (1994) 556-563 Space group: P 31 Cell volume: 2156.09 Cell parameters: 9.818; 9.818; 25.828; 90; 90; 120;

COD ID: 1512151
CIF file	Formula: - C18 H15 F4 N O4 S - Comments: 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 15(14) (2013) 3686 Space group: P 31 Cell volume: 1348.8 Cell parameters: 12.2496; 12.2496; 10.3796; 90; 90; 120;

COD ID: 1512967
CIF file	Formula: - C39 H29 O3 P S6 Zn - Comments: 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 396 (2013) 6-9 Space group: P 31 Cell volume: 2928.5 Cell parameters: 13.0176; 13.0176; 19.955; 90; 90; 120;

COD ID: 1513362

Formula: - C19 H22 N2 O2 -
Comments: 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 77(2) (2014) 327-338
Space group: P 31
Cell volume: 1144.41
Cell parameters: 11.4602; 11.4602; 10.0616; 90; 90; 120;

COD ID: 1514557
CIF file	Formula: - C67 H81 B Fe Na O7 P3 - Comments: 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 4(10) (2013) 4042 Space group: P 31 Cell volume: 4628.9 Cell parameters: 13.1184; 13.1184; 31.059; 90; 90; 120;

COD ID: 1514617

Formula: - C17 H31 Cl N2 O6 -
Comments: 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 4(12) (2013) 4494
Space group: P 31
Cell volume: 4772
Cell parameters: 32.591; 32.591; 5.1877; 90; 90; 120;

COD ID: 1515376
CIF file	Formula: - F24 Na6 Sc6 - Comments: 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 5(14) (2013) 6430-6438 Space group: P 31 Cell volume: 1349.52 Cell parameters: 12.9659; 12.9659; 9.2692; 90; 90; 120;

COD ID: 1521068
CIF file	Formula: - Ca1.89 O7 Sm0.16 Ta1.86 Ti0.1 - Comments: Grey, I.E.; Roth, R.S. New calcium tantalate polytypes in the system Ca2 Ta2 O7 Sm2 Ti2 O7 Journal of Solid State Chemistry 150 (2000) 167-177 Space group: P 31 Cell volume: 1417.05 Cell parameters: 7.353; 7.353; 30.264; 90; 90; 120;

COD ID: 1525819
CIF file	Formula: - N O3 Rb - Comments: 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 160 (2001) 222-229 Space group: P 31 Cell volume: 619.02 Cell parameters: 10.067; 10.067; 7.053; 90; 90; 120;

COD ID: 1525821
CIF file	Formula: - Cs N O3 - Comments: 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 160(1) (2001) 222-229 Space group: P 31 Cell volume: 704.422 Cell parameters: 10.492; 10.492; 7.389; 90; 90; 120;

COD ID: 1528313
CIF file	Formula: - Fe7 Se8 - Comments: Andresen, A.F.; Leciejewicz, J. A neutron diffraction study of Fe7 Se8 Journal de Physique (Paris) 25 (1964) 574-578 Space group: P 31 Cell volume: 777.344 Cell parameters: 7.17; 7.17; 17.46; 90; 90; 120;

COD ID: 1529871

Formula: - C63 H57 N6 O9 P3 -
Comments: 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 17(15) (2015) 3650-3653
Space group: P 31
Cell volume: 4751.4
Cell parameters: 13.914; 13.914; 28.339; 90; 90; 120;

COD ID: 1531061
CIF file	Formula: - Hg3 O6 S - Comments: Ahmed, M.A.K.; Fjellvag, H.; Kjekshus, A. On synthesis, structure and thermal stability of mercury and lead sulfates and oxide sulfates Thermochimica Acta 390 (2002) 113-121 Space group: P 31 Cell volume: 431.027 Cell parameters: 7.048; 7.048; 10.0194; 90; 90; 120;

COD ID: 1536031
CIF file	Formula: - Na3 O5 Re - Comments: Vielhaber, E.; Hoppe, R. Ueber Perrhenate. 3: Zum Aufbau des Mesoperrhenates Na3(ReO5) Zeitschrift fuer Anorganische und Allgemeine Chemie 610 (1992) 7-14 Space group: P 31 Cell volume: 361.447 Cell parameters: 5.5439; 5.5439; 13.5795; 90; 90; 120;

COD ID: 1536510
CIF file	Formula: - Cu7 Li7 Si5 - Comments: Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K. Crystal structure of Li7 Cu7 Si5 Kristallografiya 40 (1995) 180-182 Space group: P 31 Cell volume: 2353.51 Cell parameters: 14.174; 14.174; 13.527; 90; 90; 120;

COD ID: 1536597
CIF file	Formula: - Ga0.87 In5.13 Na2 Se10 - Comments: Kienle, L.; Deiseroth, H.J.; Duppel, V.; Simon, A. Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 443-453 Space group: P 31 Cell volume: 8891.77 Cell parameters: 24.363; 24.363; 17.298; 90; 90; 120;

COD ID: 1537124
CIF file	Formula: - C3.72 Ti5.73 - Comments: Kukol', V.V.; Khaenko, B.V.; Gnitetskii, O.A. Existence and regular arrangement of metal vacancies in ordered modification of titanium carbide Kristallografiya 40 (1995) 75-78 Space group: P 31 Cell volume: 120.907 Cell parameters: 3.06; 3.06; 14.91; 90; 90; 120;

COD ID: 1540466

Formula: - C38.5 H52 O10.5 -
Comments: 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 78(11) (2015) 2726-2730
Space group: P 31
Cell volume: 2925.5
Cell parameters: 18.4501; 18.4501; 9.9236; 90; 90; 120;

COD ID: 1540819
CIF file	Formula: - C5 V6 - Comments: Venables, J.D.; Kahn, D.; Lye, R.G. Structure of the ordered compound V6 C5 Philosophical Magazine, Serie 6 (1901-1925) 18 (1968) 177-192 Space group: P 31 Cell volume: 323.094 Cell parameters: 5.09; 5.09; 14.4; 90; 90; 120;

COD ID: 1541709

Formula: - C4 H O4 Re -
Comments: 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. 39 (2000) 4478-4480
Space group: P 31
Cell volume: 1358.83
Cell parameters: 14.9733; 14.9733; 6.9984; 90; 90; 120;

COD ID: 1541785
CIF file	Formula: - H8 N7 O15 Tm - Comments: 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 619 (1993) 1237-1240 Space group: P 31 Cell volume: 1021.02 Cell parameters: 11.2496; 11.2496; 9.316; 90; 90; 120;

COD ID: 1544951

Formula: - C16 H22 O3 -
Comments: 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)
Space group: P 31
Cell volume: 1155.41
Cell parameters: 14.6149; 14.6149; 6.24615; 90; 90; 120;

COD ID: 1545277
CIF file	Formula: - C18 H26 N2 O4 - Comments: 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 19(5) (2017) 1152-1155 Space group: P 31 Cell volume: 1298.79 Cell parameters: 9.4759; 9.4759; 16.7019; 90; 90; 120;

COD ID: 1545369
CIF file	Formula: - C19 H30 B N O3 - Comments: 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 CO bond cleavage Chem. Sci. 8(5) (2017) 3529 Space group: P 31 Cell volume: 1473.9 Cell parameters: 9.7577; 9.7577; 17.8748; 90; 90; 120;

COD ID: 1547386
CIF file	Formula: - C28 H33 Au Cl Fe P - Comments: 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 3 (2013) 3007-3012 Space group: P 31 Cell volume: 1917 Cell parameters: 9.7478; 9.7478; 23.296; 90; 90; 120;

COD ID: 1547684
CIF file	Formula: - C18 H31.5 O1.12 - Comments: 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) Space group: P 31 Cell volume: 3262.8 Cell parameters: 23.112; 23.112; 7.0532; 90; 90; 120;

COD ID: 1548482
CIF file	Formula: - C24 H26 F3 N3 O2 S - Comments: 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. 55 (2016) 12650-12654 Space group: P 31 Cell volume: 1805.71 Cell parameters: 18.8083; 18.8083; 5.8941; 90; 90; 120;

COD ID: 1551011
CIF file	Formula: - C28 H20 O2 - Comments: 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) Space group: P 31 Cell volume: 1473.6 Cell parameters: 9.3566; 9.3566; 19.436; 90; 90; 120;

COD ID: 1551232
CIF file	Formula: - C30 H41 B N7 O2 P W - Comments: Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F. Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes. Dalton transactions (Cambridge, England : 2003) 48(28) (2019) 10628-10641 Space group: P 31 Cell volume: 2477.24 Cell parameters: 10.6921; 10.6921; 25.0214; 90; 90; 120;

COD ID: 1551376

Formula: - C162 H84 N24 O18 -
Comments: 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 6 (2014) 779-784
Space group: P 31
Cell volume: 9266.7
Cell parameters: 19.5973; 19.5973; 27.8613; 90; 90; 120;

COD ID: 1556259

Formula: - C18 H19 N3 O3 -
Comments: 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 17(6) (2013) 934
Space group: P 31
Cell volume: 1213.29
Cell parameters: 11.1056; 11.1056; 11.3593; 90; 90; 120;

COD ID: 1556579
CIF file	Formula: - C2 H5 N O2 - Comments: 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 7(1) (2020) 5-9 Space group: P 31 Cell volume: 272.32 Cell parameters: 7.395; 7.395; 5.75; 90; 90; 120;

COD ID: 1559765
CIF file	Formula: - C15 H19 N3 O - Comments: 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 12(6) (2020) 2091-2096 Space group: P 31 Cell volume: 2994.36 Cell parameters: 22.0392; 22.0392; 7.1184; 90; 90; 120;

COD ID: 1562889

Formula: - C26 H30 O9 -
Comments: 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 Aspergillus sp. RR-YLW-12, Associated with the Red Alga Rhodomela confervoides. Journal of natural products (2021)
Space group: P 31
Cell volume: 1881.78
Cell parameters: 11.4643; 11.4643; 16.5327; 90; 90; 120;

COD ID: 1563132

Formula: - C57 H51 Cl2 F4 Fe N3 -
Comments: 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 11(13) (2021) 4605-4618
Space group: P 31
Cell volume: 4098.55
Cell parameters: 14.6606; 14.6606; 22.0189; 90; 90; 120;

COD ID: 1565126
CIF file	Formula: - C30 H21 Br N2 O2 - Comments: 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) Space group: P 31 Cell volume: 1735.51 Cell parameters: 15.9745; 15.9745; 7.8531; 90; 90; 120;

COD ID: 1565501

Formula: - C26 H34 O7 -
Comments: 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 Penicillium steckii HNNU-5B18. Journal of natural products 84(11) (2021) 2953-2960
Space group: P 31
Cell volume: 1766.97
Cell parameters: 8.8916; 8.8916; 25.8071; 90; 90; 120;

COD ID: 1566521
CIF file	Formula: - C64 H86 Cl2 N6 O6 - Comments: 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) Space group: P 31 Cell volume: 4869.1 Cell parameters: 20.2894; 20.2894; 13.6577; 90; 90; 120;

COD ID: 1567703
CIF file	Formula: - C28 H25 N O2 S - Comments: 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 13(42) (2022) 12396-12402 Space group: P 31 Cell volume: 1696.35 Cell parameters: 10.2503; 10.2503; 18.6428; 90; 90; 120;

COD ID: 1567735

Formula: - C2 H5 N O2 -
Comments: 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 12(10) (2022) 1342
Space group: P 31
Cell volume: 231.3
Cell parameters: 6.9848; 6.9848; 5.4744; 90; 90; 120;

COD ID: 1567829
CIF file	Formula: - C26 H35 N O3 S2 Si - Comments: 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) Space group: P 31 Cell volume: 2053.8 Cell parameters: 18.235; 18.235; 7.1321; 90; 90; 120;

COD ID: 1568706

Formula: - C24 H24 Fe N2 O6 -
Comments: 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 14(15) (2023) 4083-4090
Space group: P 31
Cell volume: 1667.6
Cell parameters: 10.1118; 10.1118; 18.832; 90; 90; 120;

COD ID: 1568710

Formula: - C24 H24 Fe N2 O6 -
Comments: 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 14(15) (2023) 4083-4090
Space group: P 31
Cell volume: 1731.1
Cell parameters: 10.248; 10.248; 19.033; 90; 90; 120;

COD ID: 2000486
CIF file Original IUCr paper	Formula: - Er0.05 F4 K Y0.95 - Comments: Le Fur, Y.; Khaidukov, N. M.; Aléonard, S. Structure of KY~0.95~Er~0.05~F~4~ Acta Crystallographica Section C 48(11) (1992) 2062-2064 Space group: P 31 Cell volume: 1735.4 Cell parameters: 14.075; 14.075; 10.115; 90; 90; 120;

COD ID: 2001072
CIF file Original IUCr paper	Formula: - C17 H10 Cl N3 - Comments: 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 48(2) (1992) 382-384 Space group: P 31 Cell volume: 1028.21 Cell parameters: 8.3291; 8.3291; 17.1142; 90; 90; 120;

COD ID: 2001117
CIF file Original IUCr paper	Formula: - C21 H30 Cl N2 O - Comments: McKenna, R.; Agbandje, M.; Neidle, S. Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C 48(1) (1992) 188-190 Space group: P 31 Cell volume: 1529.1 Cell parameters: 11.086; 11.086; 14.367; 90; 90; 120;

COD ID: 2001650
CIF file Original IUCr paper	Formula: - C20 H14 O2 - Comments: Mori, K.; Masuda, Y.; Kashino, S. (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl Acta Crystallographica Section C 49(6) (1993) 1224-1227 Space group: P 31 Cell volume: 1101 Cell parameters: 10.808; 10.808; 10.883; 90; 90; 120;

COD ID: 2001971
CIF file Original IUCr paper	Formula: - Cs N O3 - Comments: Pohl, D.; Gross, T. Caesium nitrate (II) at 296 K Acta Crystallographica, Section C: Crystal Structure Communications 49(2) (1993) 316-318 Space group: P 31 Cell volume: 796.7 Cell parameters: 10.902; 10.902; 7.74; 90; 90; 120;

COD ID: 2002998
CIF file Original IUCr paper	Formula: - C57 H52 Cl O2 Os P3 - Comments: Herbst-Irmer, Regine; Sheldrick, George M. Refinement of Twinned Structures with <i>SHELXL</i>97 Acta Crystallographica Section B 54(4) (1998) 443-449 Space group: P 31 Cell volume: 3632.7 Cell parameters: 12.623; 12.623; 26.325; 90; 90; 120;

COD ID: 2004188
CIF file Original IUCr paper	Formula: - C12 H10 N2 O - Comments: 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 51(11) (1995) 2309-2312 Space group: P 31 Cell volume: 2352.8 Cell parameters: 17.833; 17.833; 8.543; 90; 90; 120;

COD ID: 2005403
CIF file Original IUCr paper	Formula: - C18 H12 F3 P - Comments: bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K. Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine Acta Crystallographica Section C 52(9) (1996) 2243-2245 Space group: P 31 Cell volume: 1170.82 Cell parameters: 12.428; 12.428; 8.753; 90; 90; 120;

COD ID: 2005934
CIF file Original IUCr paper	Formula: - C17 H20 N2 S - Comments: Bailey, P. J.; Grant, K. J.; Parsons, S. Bis[(<i>S</i>)-({-})-α-methylbenzyl]thiourea Acta Crystallographica Section C 53(2) (1997) 247-248 Space group: P 31 Cell volume: 1214 Cell parameters: 10.3144; 10.3144; 13.177; 90; 90; 120;

COD ID: 2007473
CIF file Original IUCr paper	Formula: - C15 H26 O2 - Comments: 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 54(7) (1998) IUC9800027 Space group: P 31 Cell volume: 1033.9 Cell parameters: 14.225; 14.225; 5.9; 90; 90; 120;

COD ID: 2007893
CIF file Original IUCr paper	Formula: - C18 H15 Cl Cu P S3 - Comments: Jones, Peter G.; Fischer, Axel K.; Frolova, Lilya; Schmutzler, Reinhard Polymeric Chloro(triphenyl trithiophosphite)copper(I) Acta Crystallographica Section C 54(12) (1998) 1842-1844 Space group: P 31 Cell volume: 1392.2 Cell parameters: 12.519; 12.519; 10.257; 90; 90; 120;

COD ID: 2011307

Formula: - C11 H12 O3 -
Comments: 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 56(9) (2000) 1148-1151
Space group: P 31
Cell volume: 761.97
Cell parameters: 9.121; 9.121; 10.576; 90; 90; 120;

COD ID: 2012622

Formula: - C8 H21 N5 O6 Ru -
Comments: Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E. A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(N,N,N',N'-tetramethylethylenediamine-κ^2^N,N')ruthenium(II) Acta Crystallographica Section C 58(4) (2002) m235-m236
Space group: P 31
Cell volume: 1100.6
Cell parameters: 7.93; 7.93; 20.21; 90; 90; 120;

COD ID: 2014585
CIF file Original IUCr paper	Formula: - As Cr2 H K2 O10 - Comments: 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 60(12) (2004) i113-i116 Space group: P 31 Cell volume: 749.5 Cell parameters: 7.6931; 7.6931; 14.623; 90; 90; 120;

COD ID: 2014850

Formula: - C21 H28 O4 -
Comments: 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 61(4) (2005) o201-o203
Space group: P 31
Cell volume: 1397.4
Cell parameters: 7.297; 7.297; 30.304; 90; 90; 120;

COD ID: 2014883

Formula: - C11 H10 O2 -
Comments: 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 61(4) (2005) o221-o226
Space group: P 31
Cell volume: 1824
Cell parameters: 18.0861; 18.0861; 6.4388; 90; 90; 120;

COD ID: 2016095

Formula: - C20 H16 -
Comments: 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 63(8) (2007) o468-o473
Space group: P 31
Cell volume: 1032.3
Cell parameters: 11.8823; 11.8823; 8.4426; 90; 90; 120;

COD ID: 2016097

Formula: - C20 H16 -
Comments: 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 63(8) (2007) o468-o473
Space group: P 31
Cell volume: 1073.1
Cell parameters: 12.5475; 12.5475; 7.8705; 90; 90; 120;

COD ID: 2017232

Formula: - C12 H7 Cl3 O2 -
Comments: Ramos, Ana I.; Braga, Susana S.; Almeida Paz, Filipe A. Triclosan Acta Crystallographica Section C 65(8) (2009) o404-o405
Space group: P 31
Cell volume: 907.293
Cell parameters: 12.5225; 12.5225; 6.6809; 90; 90; 120;

COD ID: 2017503

Formula: - C2 H5 N5 -
Comments: Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Gaponik, Pavel N. A tetrazol-5-yl analogue of glycine, 5-ammoniomethyl-1H-tetrazolide, and its copper(II) complex Acta Crystallographica Section C 66(2) (2010) m22-m25
Space group: P 31
Cell volume: 318.87
Cell parameters: 7.3048; 7.3048; 6.9003; 90; 90; 120;

COD ID: 2017684

Formula: - C6 H14 N2 O -
Comments: Wicher, Barbara; Gdaniec, Maria Polymorphs of DABCO monohydrate as structural analogues of NaCl Acta Crystallographica Section C 66(6) (2010) o270-o273
Space group: P 31
Cell volume: 1610.78
Cell parameters: 11.03798; 11.03798; 15.266; 90; 90; 120;

COD ID: 2019364
CIF file	Formula: - C18 H15 N O2 - Comments: Seetharaman, J.; Rajan, S. S. 7,10-Dimethoxybenzo[b]carbazole Acta Crystallographica Section C Crystal Structure Communications 51(4) (1995) 676 Space group: P 31 Cell volume: 2087.1 Cell parameters: 12.294; 12.294; 15.945; 90; 90; 120;

COD ID: 2020139
CIF file	Formula: - Cs N O3 - Comments: Lucas, B. W. The structure (neutron) of phase II cesium nitrate at 298 K, Cs N O3 Acta Crystallographica, Section C: Crystal Structure Communications 39(12) (1983) 1591-1594 Space group: P 31 Cell volume: 809.941 Cell parameters: 10.95; 10.95; 7.8; 90; 90; 120;

COD ID: 2021310

Formula: - C11 H12 Br N O2 -
Comments: Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Structures and energetic properties of 4-halobenzamides Acta Crystallographica Section C 74(11) (2018)
Space group: P 31
Cell volume: 843.37
Cell parameters: 9.9577; 9.9577; 9.8213; 90; 90; 120;

COD ID: 2021311

Formula: - C11 H12 Cl N O2 -
Comments: Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Structures and energetic properties of 4-halobenzamides Acta Crystallographica Section C 74(11) (2018)
Space group: P 31
Cell volume: 826.93
Cell parameters: 9.9808; 9.9808; 9.5853; 90; 90; 120;

COD ID: 2021943

Formula: - C17 H16 N2 O4 S -
Comments: 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 N-(2,6-dimethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ^6^,1-benzothiazine-3-carboxamide, a structural analogue of piroxicam Acta Crystallographica Section C 76(1) (2020) 69-74
Space group: P 31
Cell volume: 1216.25
Cell parameters: 8.3735; 8.3735; 20.0299; 90; 90; 120;

COD ID: 2022416
CIF file Original IUCr paper	Formula: - C21 H16 F3 N3 O - Comments: 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 77(9) (2021) Space group: P 31 Cell volume: 1374.41 Cell parameters: 17.1109; 17.1109; 5.4205; 90; 90; 120;

COD ID: 2100425

Formula: - C16 H26 O6 -
Comments: A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell (Z,2R,3R,4aR,7R,12aS)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4aH-[1,4]dioxino[2,3-c]oxecin-5(11H)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections Acta Crystallographica Section B 62(2) (2006) 262-267
Space group: P 31
Cell volume: 3705.03
Cell parameters: 18.685; 18.685; 12.2539; 90; 90; 120;

COD ID: 2103648

Formula: - C11 H22 N2 O6 -
Comments: 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 DL- and L-lysine with glutaric acid Acta Crystallographica Section B 57(3) (2001) 366-371
Space group: P 31
Cell volume: 1058.5
Cell parameters: 9.044; 9.044; 14.943; 90; 90; 120;

COD ID: 2105404
CIF file	Formula: - B2 O3 - Comments: 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) 26 (1970) 906-915 Space group: P 31 Cell volume: 135.775 Cell parameters: 4.3358; 4.3358; 8.3397; 90; 90; 120;

COD ID: 2106197
CIF file	Formula: - Fe7 S8 - Comments: Fleet, M.E. The crystal structure of a pyrrhotite, (Fe7 S8) Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1864-1867 Space group: P 31 Cell volume: 696.839 Cell parameters: 6.8673; 6.8673; 17.062; 90; 90; 120;

COD ID: 2107326
CIF file	Formula: - N O3 Rb - Comments: 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-) 48 (1992) 160-166 Space group: P 31 Cell volume: 707.137 Cell parameters: 10.474; 10.474; 7.443; 90; 90; 120;

COD ID: 2108195

Formula: - C15 H19 N2 O2.5 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 31
Cell volume: 2239.61
Cell parameters: 8.4102; 8.4102; 36.562; 90; 90; 120;

COD ID: 2200722

Formula: - C20 H20 O5 -
Comments: Song, Qi; Billodeaux, Damon R.; Fronczek, Frank R.; Fischer, Nikolaus H. Futoenone, a neolignan from Magnolia soulangiana Acta Crystallographica Section E 57(11) (2001) o1094-o1095
Space group: P 31
Cell volume: 1238.5
Cell parameters: 7.521; 7.521; 25.2821; 90; 90; 120;

COD ID: 2201136

Formula: - C14 H13 Br N2 O -
Comments: Marciniak, Bernard; Pavlyuk, Volodymyr; Deska, Malgorzata 6-(2-Hydroxyethyl)benzo[f]-1,7-naphthyridin-6-ium bromide Acta Crystallographica Section E 58(5) (2002) o489-o491
Space group: P 31
Cell volume: 964.9
Cell parameters: 7.057; 7.057; 22.372; 90; 90; 120;

COD ID: 2201231

Formula: - C24 H56 N4 Si4 Zr -
Comments: Jian-Feng Li; Lin-Hong Weng; Shu-Ping Huang; Hong-Bo Tong; Dian-Sheng Liu Bis[(1R,2R)-({-})-1,2-bis(trimethylsilylamino)cyclohexane(2{-})-κ^2^N,N']zirconium(IV) Acta Crystallographica Section E 58(10) (2002) m510-m512
Space group: P 31
Cell volume: 2675
Cell parameters: 10.473; 10.473; 28.166; 90; 90; 120;

COD ID: 2201492

Formula: - C68 H70 N4 O5 -
Comments: Fagnou, Keith; Lautens, Mark; Lough, Alan J. (1R*,2R*)-2-(Methylphenylamino)-1,2-dihydronaphthalen-1-ol‒water (4/1) Acta Crystallographica Section E 58(12) (2002) o1449-o1451
Space group: P 31
Cell volume: 4119.71
Cell parameters: 12.3595; 12.3595; 31.1411; 90; 90; 120;

COD ID: 2201882

Formula: - C7 H10 Cl3 N O4 -
Comments: K. Rajagopal; R. V. Krishnakumar; A. Mostad; S. Natarajan L-Prolinium trichloroacetate at 105K Acta Crystallographica Section E 59(3) (2003) o277-o279
Space group: P 31
Cell volume: 831.3
Cell parameters: 9.7541; 9.7541; 10.089; 90; 90; 120;

COD ID: 2202569

Formula: - C7 H10 O5 -
Comments: Blann, Kevin; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred (1R*,5R*,6S*,7R*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one Acta Crystallographica Section E 59(10) (2003) o1551-o1553
Space group: P 31
Cell volume: 613.6
Cell parameters: 11.532; 11.532; 5.328; 90; 90; 120;

COD ID: 2202728

Formula: - C20 H25 Fe N O5 -
Comments: Kraatz, Heinz-Bernhard; Sutherland, Todd C.; Appoh, Francis E. N-Ferrocenoyl-labelled glutamate diethyl ester Acta Crystallographica Section E 59(12) (2003) m1174-m1175
Space group: P 31
Cell volume: 3020.2
Cell parameters: 11.414; 11.414; 26.7688; 90; 90; 120;

COD ID: 2211497

Formula: - C28 H36 O4 -
Comments: R. Malathi; S. S. Rajan; M. Sivarama Krishnan; Geetha Gopalakrishnan; G. Suresh Azadirone Acta Crystallographica Section E 62(12) (2006) o5694-o5696
Space group: P 31
Cell volume: 1822.7
Cell parameters: 10.818; 10.818; 17.984; 90; 90; 120;

COD ID: 2211890

Formula: - C9 H17 N O3 -
Comments: Håkansson, Anders E.; Horne, Graeme; Fleet, George W.J.; Watkin, David J. (6S)-Methyl-L-swainsonine [(1R,2S,6S,8S,8aS)-6-methyloctahydroindolizine-1,2,8-triol] Acta Crystallographica Section E 63(1) (2007) o210-o212
Space group: P 31
Cell volume: 700.76
Cell parameters: 11.4494; 11.4494; 6.1727; 90; 90; 120;

COD ID: 2215302

Formula: - C15 H14 Ag N S2 -
Comments: Xia Yin; Mu-Biao Xie; Wei-Guang Zhang; Jun Fan Poly[(μ~3~-N,N-dibenzyldithiocarbamato-κ^4^S,S':S:S')silver(I)] Acta Crystallographica Section E 63(9) (2007) m2273-m2273
Space group: P 31
Cell volume: 1063.2
Cell parameters: 15.6505; 15.6505; 5.012; 90; 90; 120;

COD ID: 2222960

Formula: - C11 H19 N3 O3 S -
Comments: Mehmood, Tahir; Zaidi, Javid H.; Jones, Peter G. tert-Butyl N-[1-diazoacetyl-3-(methylsulfanyl)propyl]carbamate Acta Crystallographica Section E 65(9) (2009) o2120-o2121
Space group: P 31
Cell volume: 1150.62
Cell parameters: 9.7915; 9.7915; 13.8581; 90; 90; 120;

COD ID: 2223668

Formula: - C12 H24 Cl Na O12 -
Comments: Wong, K. C.; Hamid, Abdul; Baharuddin, S.; Quah, Ching Kheng; Fun, Hoong-Kun catena-Poly[[sodium-di-μ-β-D-glucose] chloride] Acta Crystallographica Section E 65(11) (2009) m1308-m1309
Space group: P 31
Cell volume: 4048.2
Cell parameters: 16.3795; 16.3795; 17.4232; 90; 90; 120;

COD ID: 2229707

Formula: - C15 H14 N2 -
Comments: Valkonen, Arto; Kolehmainen, Erkki; Zakrzewska, Anna; Skotnicka, Agnieszka; Gawinecki, Ryszard 2-Methyl-4-phenyl-3,4-dihydroquinazoline Acta Crystallographica Section E 67(4) (2011) o923-o924
Space group: P 31
Cell volume: 890.97
Cell parameters: 9.56; 9.56; 11.2569; 90; 90; 120;

COD ID: 2230096

Formula: - C13 H11 Cu N2 O2 -
Comments: Lou, Benyong Poly[{μ~3~-3-[4-(1H-imidazol-1-ylmethyl)phenyl]prop-2-enoato-κN:η^2^:κO}copper(I)] Acta Crystallographica Section E 67(5) (2011) m640
Space group: P 31
Cell volume: 870
Cell parameters: 9.7894; 9.7894; 10.483; 90; 90; 120;

COD ID: 2233563

Formula: - C11 H11 N3 O2 -
Comments: Wang, Gai-Gai; Zhao, Hong 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid Acta Crystallographica Section E 68(2) (2012) o322
Space group: P 31
Cell volume: 797.64
Cell parameters: 10.1178; 10.1178; 8.9971; 90; 90; 120;

COD ID: 2234274

Formula: - C24 H23 N O3 -
Comments: Shao, Bo; Wang, Hai-Bin (R)-1,1'-Binaphthalene-2,2'-diol‒(Z)-N-ethylideneethanamine N-oxide (1/1) Acta Crystallographica Section E 68(4) (2012) o948
Space group: P 31
Cell volume: 1472.4
Cell parameters: 8.9579; 8.9579; 21.187; 90; 90; 120;

COD ID: 2241901

Formula: - C15 H24 O2 -
Comments: Aranburu Leiva, Ane I.; Benjamin, Sophie L.; Langley, Stuart K.; Mewis, Ryan E. Crystal structure of 2,4-di-tert-butyl-6-(hydroxymethyl)phenol Acta Crystallographica Section E 72(11) (2016) 1614-1617
Space group: P 31
Cell volume: 1090.11
Cell parameters: 14.4357; 14.4357; 6.0404; 90; 90; 120;

COD ID: 2310678
CIF file	Formula: - Fe4 H5 O9 Si - Comments: Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967) 16 (1963) 1-8 Space group: P 31 Cell volume: 553.625 Cell parameters: 5.49; 5.49; 21.21; 90; 90; 120;

COD ID: 2310732
CIF file	Formula: - B2 O3 - Comments: Berger, S.V. The Crystal Structure of B2 O3 Acta Crystallographica (1,1948-23,1967) 5 (1952) 389-389 Space group: P 31 Cell volume: 134.732 Cell parameters: 4.325; 4.325; 8.317; 90; 90; 120;

COD ID: 2311266
CIF file	Formula: - C19 H18 N2 - Comments: 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 69(Pt 3) (2013) 249-259 Space group: P 31 Cell volume: 1083.1 Cell parameters: 12.094; 12.094; 8.551; 90; 90; 120;

COD ID: 4002257

Formula: - Co K2 O52 W12 -
Comments: 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-) 12 (2000) 16-18
Space group: P 31
Cell volume: 3877.1
Cell parameters: 18.937; 18.937; 12.484; 90; 90; 120;

COD ID: 4002845

Formula: - C5 H7 Cl Co3 O11 -
Comments: 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 29(18) (2017) 7716
Space group: P 31
Cell volume: 953.65
Cell parameters: 12.0903; 12.0903; 7.5333; 90; 90; 120;

COD ID: 4002846

Formula: - C5 H7 Cl Ni3 O11 -
Comments: 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 29(18) (2017) 7716
Space group: P 31
Cell volume: 910.5
Cell parameters: 11.9286; 11.9286; 7.3887; 90; 90; 120;

COD ID: 4002847

Formula: - C5 H7 Cl Fe3 O11 -
Comments: 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 29(18) (2017) 7716
Space group: P 31
Cell volume: 978.13
Cell parameters: 12.2116; 12.2116; 7.5739; 90; 90; 120;

COD ID: 4020451

Formula: - C17 H16 N2 O6 -
Comments: 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 70(16) (2005) 6369-6377
Space group: P 31
Cell volume: 1204.9
Cell parameters: 8.976; 8.976; 17.269; 90; 90; 120;

COD ID: 4020807

Formula: - C15 H25 N O4 -
Comments: 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 69 (2004) 130-141
Space group: P 31
Cell volume: 1263.92
Cell parameters: 9.8807; 9.8807; 14.949; 90; 90; 120;

COD ID: 4021449
CIF file	Formula: - C13 H17 N O2 S - Comments: 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 71 (2006) 1265-1268 Space group: P 31 Cell volume: 1028.2 Cell parameters: 11.08; 11.08; 9.6707; 90; 90; 120;

COD ID: 4021606

Formula: - C19 H29 N O3 S3 -
Comments: 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 71 (2006) 2715-2725
Space group: P 31
Cell volume: 1590
Cell parameters: 10.556; 10.556; 16.477; 90; 90; 120;

COD ID: 4023034

Formula: - C23 H15 N3 -
Comments: 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 72 (2007) 10227-10230
Space group: P 31
Cell volume: 1264.41
Cell parameters: 13.416; 13.416; 8.1117; 90; 90; 120;

COD ID: 4023381
CIF file	Formula: - C29 H34 O9 - Comments: W. Sean Fyvie; Mark W. Peczuh Diastereoselectivity in Epoxidation of Carbohydrate Fused [13]-Macro-dilactones Journal of Organic Chemistry 73 (2008) 3626-3629 Space group: P 31 Cell volume: 4088.1 Cell parameters: 12.589; 12.589; 29.785; 90; 90; 120;

COD ID: 4027840

Formula: - C9 H16 O -
Comments: 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 78 (2013) 311-319
Space group: P 31
Cell volume: 628.6
Cell parameters: 10.515; 10.515; 6.565; 90; 90; 120;

COD ID: 4028183
CIF file	Formula: - C16 H15 I O2 - Comments: 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 78 (2013) 3767-3773 Space group: P 31 Cell volume: 1111 Cell parameters: 11.6678; 11.6678; 9.4235; 90; 90; 120;

COD ID: 4029232
CIF file	Formula: - C11 H9 Cl F4 N2 O S - Comments: Yang, Kai; Liu, Li-Juan; Liu, Jin-Tao The synthesis and strecker reaction of 2-chlorotetrafluoroethanesulfinyl ketimines. The Journal of organic chemistry 79(7) (2014) 3215-3220 Space group: P 31 Cell volume: 1043.5 Cell parameters: 10.278; 10.278; 11.406; 90; 90; 120;

COD ID: 4030604
CIF file	Formula: - N5 O15 Rb2 Y - Comments: 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 30 (1993) 883-894 Space group: P 31 Cell volume: 1017.2 Cell parameters: 11.2376; 11.2376; 9.301; 90; 90; 120;

COD ID: 4031167

Formula: - C14 H22 O5 -
Comments: 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 80(14) (2015) 7019-7032
Space group: P 31
Cell volume: 1130
Cell parameters: 15.15; 15.15; 5.685; 90; 90; 120;

COD ID: 4031795
CIF file	Formula: - N5 O15 Rb2 Y - Comments: 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 30 (1993) 883-894 Space group: P 31 Cell volume: 1030.36 Cell parameters: 11.239; 11.239; 9.419; 90; 90; 120;

COD ID: 4033469
CIF file	Formula: - C30 H32 O5 - Comments: Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H. Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals. The Journal of organic chemistry 83(4) (2018) 2154-2165 Space group: P 31 Cell volume: 1976.61 Cell parameters: 18.8918; 18.8918; 6.39506; 90; 90; 120;

COD ID: 4034087
CIF file	Formula: - C17 H13 N S - Comments: 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 84(20) (2019) 12913-12924 Space group: P 31 Cell volume: 989.5 Cell parameters: 9.7128; 9.7128; 12.1114; 90; 90; 120;

COD ID: 4034345
CIF file	Formula: - C23 H29 F3 N2 O9 S2 - Comments: 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 84(9) (2019) 5645-5654 Space group: P 31 Cell volume: 2009.64 Cell parameters: 14.4545; 14.4545; 11.1066; 90; 90; 120;

COD ID: 4034803

Formula: - C14 H18 O2 -
Comments: 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 83(10) (2018) 5756-5765
Space group: P 31
Cell volume: 905.77
Cell parameters: 13.5592; 13.5592; 5.6888; 90; 90; 120;

COD ID: 4035153

Formula: - C11 H12 Cl N O2 -
Comments: 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 83(6) (2018) 3159-3163
Space group: P 31
Cell volume: 826.93
Cell parameters: 9.9808; 9.9808; 9.5853; 90; 90; 120;

COD ID: 4037371

Formula: - C28 H28 O3 Si -
Comments: 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 81(22) (2016) 11043-11056
Space group: P 31
Cell volume: 1818.7
Cell parameters: 10.3861; 10.3861; 19.4684; 90; 90; 120;

COD ID: 4037662
CIF file	Formula: - C2 H5 N O2 - Comments: Brunner, Henri; Tsuno, Takashi; Balázs, Gábor Chiral Selectivity in the Achiral Amino Acid Glycine. The Journal of organic chemistry (2019) Space group: P 31 Cell volume: 234.06 Cell parameters: 7.0167; 7.0167; 5.4894; 90; 90; 120;

COD ID: 4038254
CIF file	Formula: - C19 H19 N O4 - Comments: Maertens, Gaetan; Deruer, Elsa; Denis, Maxime; Canesi, Sylvain Common Strategy for the Synthesis of Some Strychnos Indole Alkaloids. The Journal of organic chemistry (2020) Space group: P 31 Cell volume: 1232.27 Cell parameters: 8.652; 8.652; 19.0082; 90; 90; 120;

COD ID: 4061396
CIF file	Formula: - C38 H58 N2 O Ti - Comments: Organometallics (2005) Space group: P 31 Cell volume: 8879 Cell parameters: 29.025; 29.025; 12.17; 90; 90; 120;

COD ID: 4069162

Formula: - C47 H47 Fe O2 P2 Rh -
Comments: 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 28(10) (2009) 2993
Space group: P 31
Cell volume: 2951.69
Cell parameters: 11.3556; 11.3556; 26.4314; 90; 90; 120;

COD ID: 4076510
CIF file	Formula: - C24 H25 N3 S - Comments: Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones Organometallics 31(5) (2012) 2001 Space group: P 31 Cell volume: 1526.14 Cell parameters: 9.2617; 9.2617; 20.5439; 90; 90; 120;

COD ID: 4076865
CIF file	Formula: - C28 H50 B8 Fe2 S - Comments: Russell, J. Monte; Sabat, Michal; Grimes, Russell N. Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters Organometallics 21(20) (2002) 4113 Space group: P 31 Cell volume: 2367.8 Cell parameters: 18.6124; 18.6124; 7.8924; 90; 90; 120;

COD ID: 4079575
CIF file	Formula: - C32 H27 B F18 O3 - Comments: Lai, Yu-Ying; Bornand, Marc; Chen, Peter Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts Organometallics 31(21) (2012) 7558 Space group: P 31 Cell volume: 2690.8 Cell parameters: 14.4884; 14.4884; 14.8018; 90; 90; 120;

COD ID: 4080427

Formula: - C19 H25 Cl2 P Ru -
Comments: 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 32(8) (2013) 2344
Space group: P 31
Cell volume: 1425.63
Cell parameters: 11.845; 11.845; 11.7329; 90; 90; 120;

COD ID: 4082463
CIF file	Formula: - C48 H70 B Li O2 P2 - Comments: Parker, Evelyne; Cramer, Nicolai Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands Organometallics 33(3) (2014) 780 Space group: P 31 Cell volume: 3429.68 Cell parameters: 18.2343; 18.2343; 11.9109; 90; 90; 120;

COD ID: 4086328
CIF file	Formula: - C35 H47 Ir O2 P2 - Comments: 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) Space group: P 31 Cell volume: 2465.1 Cell parameters: 15.4739; 15.4739; 11.8879; 90; 90; 120;

COD ID: 4086329
CIF file	Formula: - C35 H50 O P2 Pt - Comments: 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) Space group: P 31 Cell volume: 2468.9 Cell parameters: 15.5042; 15.5042; 11.8599; 90; 90; 120;

COD ID: 4101209
CIF file	Formula: - C18 H33 N O4 - Comments: Journal of the American Chemical Society (2006) Space group: P 31 Cell volume: 1452.7 Cell parameters: 16.803; 16.803; 5.941; 90; 90; 120;

COD ID: 4101714
CIF file	Formula: - C22 H20 N4 Pb3 S6 - Comments: 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 130(1) (2008) 14-15 Space group: P 31 Cell volume: 2074.4 Cell parameters: 9.5123; 9.5123; 26.472; 90; 90; 120;

COD ID: 4105244
CIF file	Formula: - C16 H15 Cl O - Comments: Lucie E. Zimmer; André B. Charette Enantioselective Synthesis of 1,2,3-Trisubstituted Cyclopropanes Usinggem-Dizinc Reagents Journal of the American Chemical Society 131 (2009) 15624-15626 Space group: P 31 Cell volume: 1015.58 Cell parameters: 14.0829; 14.0829; 5.9129; 90; 90; 120;

COD ID: 4106093

Formula: - C28 H35 Li N2 O2 -
Comments: 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 133 (2011) 7084-7095
Space group: P 31
Cell volume: 1866.1
Cell parameters: 9.9517; 9.9517; 21.757; 90; 90; 120;

COD ID: 4106546

Formula: - C11 H11 N O5 Sr -
Comments: 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 133 (2011) 12330-12333
Space group: P 31
Cell volume: 961.31
Cell parameters: 10.62017; 10.62017; 9.84171; 90; 90; 120;

COD ID: 4106547

Formula: - C11 H11 N O5 Sr -
Comments: 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 133 (2011) 12330-12333
Space group: P 31
Cell volume: 967.91
Cell parameters: 10.6396; 10.6396; 9.8731; 90; 90; 120;

COD ID: 4106548

Formula: - C11 H11 N O5 Sr -
Comments: 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 133 (2011) 12330-12333
Space group: P 31
Cell volume: 958.64
Cell parameters: 10.6123; 10.6123; 9.8289; 90; 90; 120;

COD ID: 4106787
CIF file	Formula: - C25 H27 N3 S - Comments: Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions Journal of the American Chemical Society 133 (2011) 14578-14581 Space group: P 31 Cell volume: 1596.84 Cell parameters: 11.4229; 11.4229; 14.1312; 90; 90; 120;

COD ID: 4109571
CIF file	Formula: - C50.5 H53.5 Cu2 N4 O12.5 - Comments: Jungseok Heo; You-Moon Jeon; Chad A. Mirkin Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers Journal of the American Chemical Society 129 (2007) 7712-7713 Space group: P 31 Cell volume: 4100.5 Cell parameters: 18.2101; 18.2101; 14.2785; 90; 90; 120;

COD ID: 4110255

Formula: - K2 P2 Se6 -
Comments: 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 129 (2007) 14996-15006
Space group: P 31
Cell volume: 3419.2
Cell parameters: 14.4916; 14.4916; 18.7999; 90; 90; 120;

COD ID: 4110740

Formula: - C20 H23.3333 N O3 S -
Comments: 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 128 (2006) 9722-9729
Space group: P 31
Cell volume: 2979
Cell parameters: 16.0529; 16.0529; 13.3484; 90; 90; 120;

COD ID: 4110931

Formula: - C75 H58 B F24 Ir N O P -
Comments: 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 128 (2006) 12886-12891
Space group: P 31
Cell volume: 5381
Cell parameters: 13.046; 13.046; 36.506; 90; 90; 120;

COD ID: 4111285

Formula: - C26 H28 K O8 -
Comments: 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 128 (2006) 16708-16719
Space group: P 31
Cell volume: 1843.2
Cell parameters: 15.283; 15.283; 9.112; 90; 90; 120;

COD ID: 4112255

Formula: - C13 H20 O5 -
Comments: 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 126 (2004) 2194-2207
Space group: P 31
Cell volume: 1015.2
Cell parameters: 12.843; 12.843; 7.107; 90; 90; 120;

COD ID: 4113474

Formula: - C26 H46 Cl16 N6 O2 P2 Sn -
Comments: 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 125 (2003) 2208-2216
Space group: P 31
Cell volume: 3680.3
Cell parameters: 10.332; 10.332; 39.809; 90; 90; 120;

COD ID: 4114560
CIF file	Formula: - C54 H70 Ag2 N8 O6 - Comments: Yong Cui; Chuan He Efficient Aziridination of Olefins Catalyzed by a Unique Disilver(I) Compound Journal of the American Chemical Society 125 (2003) 16202-16203 Space group: P 31 Cell volume: 3909 Cell parameters: 16.688; 16.688; 16.208; 90; 90; 120;

COD ID: 4115963

Formula: - C19 H24 N O3 P -
Comments: 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 122 (2000) 3135-3150
Space group: P 31
Cell volume: 1457
Cell parameters: 12.417; 12.417; 10.912; 90; 90; 120;

COD ID: 4118475

Formula: - C9 H12 O4 S -
Comments: 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 134 (2012) 12912-12915
Space group: P 31
Cell volume: 786.45
Cell parameters: 12.3447; 12.3447; 5.9591; 90; 90; 120;

COD ID: 4119842
CIF file	Formula: - C10 H9 Br O4 - Comments: Michael Wilking; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Ulrich Hennecke Enantioselective, Desymmetrizing Bromolactonization of Alkynes Journal of the American Chemical Society 135 (2013) 8133-8136 Space group: P 31 Cell volume: 817.47 Cell parameters: 9.3846; 9.3846; 10.7179; 90; 90; 120;

COD ID: 4121664
CIF file	Formula: - C35 H45 Br O8 - Comments: 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 136(15) (2014) 5799 Space group: P 31 Cell volume: 2524.52 Cell parameters: 13.9788; 13.9788; 14.9179; 90; 90; 120;

COD ID: 4122669

Formula: - C46 H44 B F4 N O2 -
Comments: 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 136(40) (2014) 14263
Space group: P 31
Cell volume: 2789.7
Cell parameters: 10.0798; 10.0798; 31.705; 90; 90; 120;

COD ID: 4125540

Formula: - C19 H14 Br N O4 -
Comments: 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 139(6) (2017) 2140-2143
Space group: P 31
Cell volume: 3926.63
Cell parameters: 18.09886; 18.09886; 13.84162; 90; 90; 120;

COD ID: 4126662
CIF file	Formula: - C10 H16 O4 - Comments: 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) Space group: P 31 Cell volume: 807.3 Cell parameters: 12.007; 12.007; 6.4662; 90; 90; 120;

COD ID: 4130349

Formula: - C20 H16 Mn N4 O5 S -
Comments: 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 138(20) (2016) 6583-6590
Space group: P 31
Cell volume: 1532.37
Cell parameters: 9.1358; 9.1358; 21.2002; 90; 90; 120;

COD ID: 4130774
CIF file	Formula: - C19 H22 O5 - Comments: Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S. 11-Step Total Synthesis of (-)-Maoecrystal V. Journal of the American Chemical Society 138(30) (2016) 9425-9428 Space group: P 31 Cell volume: 1314.95 Cell parameters: 15.2396; 15.2396; 6.5378; 90; 90; 120;

COD ID: 4131082

Formula: - C48 H54 F12 N6 O2 S2 -
Comments: 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 138(41) (2016) 13525-13528
Space group: P 31
Cell volume: 3854.35
Cell parameters: 11.8419; 11.8419; 31.7379; 90; 90; 120;

COD ID: 4134877
CIF file	Formula: - C13 H20 O4 - Comments: McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S. Total Synthesis of (-)-Maximiscin. Journal of the American Chemical Society (2020) Space group: P 31 Cell volume: 1026.11 Cell parameters: 9.3492; 9.3492; 13.5555; 90; 90; 120;

COD ID: 4300081
CIF file	Formula: - C9 H27 O9 P3 Ru S5 - Comments: 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 39 (2000) 247-250 Space group: P 31 Cell volume: 1795 Cell parameters: 14.231; 14.227; 10.24; 90.07; 90.15; 120.04;

COD ID: 4302840
CIF file	Formula: - C20 H26 Cl2 Fe N10 O8 - Comments: 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 48 (2009) 7211-7229 Space group: P 31 Cell volume: 2098.8 Cell parameters: 13.724; 13.724; 12.867; 90; 90; 120;

COD ID: 4303047
CIF file	Formula: - C15 H16 Ag B F4 N4 - Comments: 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 48 (2009) 8404-8414 Space group: P 31 Cell volume: 1293.44 Cell parameters: 9.245; 9.245; 17.4744; 90; 90; 120;

COD ID: 4303754
CIF file	Formula: - C10 H28 F Ga3 N4 O21.5 P4 - Comments: 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 48 (2009) 11277-11282 Space group: P 31 Cell volume: 4427.71 Cell parameters: 13.0887; 13.0887; 29.8439; 90; 90; 120;

COD ID: 4303764

Formula: - C36.65 H60.6 Mo N2 O5.65 -
Comments: 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 48 (2009) 11290-11296
Space group: P 31
Cell volume: 3408.9
Cell parameters: 17.0026; 17.0026; 13.616; 90; 90; 120;

COD ID: 4306791

Formula: - C20 H21 N2 O7.5 Zn -
Comments: 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 47 (2008) 11910-11919
Space group: P 31
Cell volume: 1558.8
Cell parameters: 19.0583; 19.0583; 4.9557; 90; 90; 120;

COD ID: 4308022
CIF file	Formula: - C36 H31 I N2 Pd - Comments: 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 46 (2007) 5220-5228 Space group: P 31 Cell volume: 2273.33 Cell parameters: 15.7499; 15.7499; 10.5822; 90; 90; 120;

COD ID: 4311995
CIF file	Formula: - C9 H12 Cl2 Cu N2 O S - Comments: 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 43 (2004) 7272-7274 Space group: P 31 Cell volume: 913.1 Cell parameters: 6.956; 6.956; 21.791; 90; 90; 120;

COD ID: 4321023
CIF file	Formula: - C58 H74.5 N4 Ni O4.25 - Comments: Zengmin Li; Chet Jablonski Synthesis, Characterization, and Structure of Macrocyclic Mono- and C2-Symmetric, Binuclear Nickel Calixsalen Complexes Inorganic Chemistry 39 (2000) 2456-2461 Space group: P 31 Cell volume: 4596.57 Cell parameters: 18.2566; 18.2566; 15.9244; 90; 90; 120;

COD ID: 4321899

Formula: - C24 H22 N10 O3 Pd S2 -
Comments: 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 38 (1999) 1719-1724
Space group: P 31
Cell volume: 1988.4
Cell parameters: 10.749; 10.749; 19.872; 90; 90; 120;

COD ID: 4322225
CIF file	Formula: - C27 H63 Cl5 P3 Re2 - Comments: 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 38 (1999) 3889-3894 Space group: P 31 Cell volume: 2978.1 Cell parameters: 11.0686; 11.0686; 28.069; 90; 90; 120;

COD ID: 4326114

Formula: - C70 H93 Ag3 B3 F12 N13 O7 -
Comments: 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 50 (2011) 8465-8476
Space group: P 31
Cell volume: 5859.71
Cell parameters: 12.5762; 12.5762; 42.7806; 90; 90; 120;

COD ID: 4326953
CIF file HKL data	Formula: - Bi2 O7 Sn2 - Comments: 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 50 (2011) 11905-11913 Space group: P 31 Cell volume: 1847.81 Cell parameters: 7.58033; 7.58033; 37.1321; 90; 90; 120;

COD ID: 4327988

Formula: - C60 H28 Er2 F36 N2 O20 S8 -
Comments: 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 51 (2012) 978-984
Space group: P 31
Cell volume: 6229
Cell parameters: 17.91; 17.91; 22.424; 90; 90; 120;

COD ID: 4328741
CIF file	Formula: - C66 H60 Cl4 Ge Ir O2 P4 Rh - Comments: 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 51 (2012) 4020-4034 Space group: P 31 Cell volume: 4742.9 Cell parameters: 13.0777; 13.0777; 32.0219; 90; 90; 120;

COD ID: 4331953

Formula: - C23 H60 F12 N8 O6 P2 Pt2 Tl2 -
Comments: 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 45(14) (2006) 5552-5560
Space group: P 31
Cell volume: 3482.2
Cell parameters: 11.3972; 11.3972; 30.955; 90; 90; 120;

COD ID: 4331954

Formula: - C22 H60 Cl2 N8 O14 Pt2 Tl2 -
Comments: 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 45(14) (2006) 5552-5560
Space group: P 31
Cell volume: 3373
Cell parameters: 11.344; 11.344; 30.27; 90; 90; 120;

COD ID: 4332848

Formula: - C94 H217 Co18 N12 O77.5 -
Comments: 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 45(22) (2006) 8950-8957
Space group: P 31
Cell volume: 12117
Cell parameters: 21.414; 21.414; 30.512; 90; 90; 120;

COD ID: 4332940
CIF file	Formula: - C24 H76 Cu2 N6 O30 P2 - Comments: 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 45(19) (2006) 7973-7980 Space group: P 31 Cell volume: 3734.9 Cell parameters: 14.451; 14.451; 20.6514; 90; 90; 120;

COD ID: 4334896
CIF file	Formula: - C78 H85 F6 N9 O6 Pt2 S5 - Comments: 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 52 (2013) 5636-5638 Space group: P 31 Cell volume: 5709.3 Cell parameters: 17.5562; 17.5562; 21.389; 90; 90; 120;

COD ID: 4338965
CIF file	Formula: - C23 H28 As Cl4 N Pd - Comments: 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 46(22) (2007) 9488-9494 Space group: P 31 Cell volume: 2036.32 Cell parameters: 10.1936; 10.1936; 22.6287; 90; 90; 120;

COD ID: 4343613
CIF file	Formula: - C43 H27 F6 Ir N4 S2 - Comments: 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 54(14) (2015) 7122-7131 Space group: P 31 Cell volume: 2723.3 Cell parameters: 15.178; 15.178; 13.65; 90; 90; 120;

COD ID: 4345415
CIF file	Formula: - C18 H18 N2 O6 U - Comments: 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 56(3) (2017) 1455-1469 Space group: P 31 Cell volume: 4602.8 Cell parameters: 16.7704; 16.7704; 18.8976; 90; 90; 120;

COD ID: 4348365
CIF file	Formula: - C0 H3 B6 Bi3 O15 - Comments: Cong, Rihong; Wang, Ying; Kang, Lei; Zhou, Zhengyang; Lin, Zheshuai; Yang, Tao An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine Inorganic Chemistry Frontiers 2(2) (2015) 170 Space group: P 31 Cell volume: 252.651 Cell parameters: 6.62214; 6.62214; 6.65264; 90; 90; 120;

COD ID: 4501576
CIF file	Formula: - C68 H54 Cu4 N6 O17 - Comments: Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K. Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates Crystal Growth & Design 10(5) (2010) 2041 Space group: P 31 Cell volume: 5018 Cell parameters: 11.109; 11.109; 46.95; 90; 90; 120;

COD ID: 4501769
CIF file	Formula: - C20 H14 O2 - Comments: Lee, Tu; Peng, Jen Fan Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide Crystal Growth & Design 10(8) (2010) 3547 Space group: P 31 Cell volume: 1101.68 Cell parameters: 10.8108; 10.8108; 10.8845; 90; 90; 120;

COD ID: 4503861

Formula: - C26 H26 F2 N2 O4 -
Comments: Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition Crystal Growth & Design 8(10) (2008) 3871
Space group: P 31
Cell volume: 1735.06
Cell parameters: 9.0756; 9.0756; 24.3239; 90; 90; 120;

COD ID: 4503869
CIF file	Formula: - C6 H2 Br N3 O6 - Comments: Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J. Polymorphs of Picryl Bromide Crystal Growth & Design 8(1) (2008) 57 Space group: P 31 Cell volume: 8416.8 Cell parameters: 14.861; 14.861; 44.007; 90; 90; 120;

COD ID: 4504971

Formula: - C2 H5 N O2 -
Comments: Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine Crystal Growth & Design 5(4) (2005) 1415
Space group: P 31
Cell volume: 227.1
Cell parameters: 6.9332; 6.9332; 5.4552; 90; 90; 120;

COD ID: 4504972

Formula: - C2 H5 N O2 -
Comments: Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine Crystal Growth & Design 5(4) (2005) 1415
Space group: P 31
Cell volume: 221.33
Cell parameters: 6.8617; 6.8617; 5.4282; 90; 90; 120;

COD ID: 4509259
CIF file	Formula: - C39 H30 N3 O9 - Comments: Rajput, Lalit; Biradha, Kumar Design of Cocrystals via New and Robust Supramolecular Synthon between Carboxylic Acid and Secondary Amide: Honeycomb Network with Jailed Aromatics Crystal Growth & Design 9(1) (2009) 40 Space group: P 31 Cell volume: 5641 Cell parameters: 14.467; 14.467; 31.123; 90; 90; 120;

COD ID: 4511018

Formula: - C39 H25 F7 Ir N4 P -
Comments: Chiu, Yuan-Chieh; Chi, Yun; Hung, Jui-Yi; Cheng, Yi-Ming; Yu, Ya-Chien; Chung, Ming-Wen; Lee, Gene-Hsiang; Chou, Pi-Tai; Chen, Chung-Chia; Wu, Chung-Chih; Hsieh, Hsi-Ying Blue to true-blue phosphorescent Ir(III) complexes bearing a nonconjugated ancillary phosphine chelate: strategic synthesis, photophysics, and device integration. ACS applied materials & interfaces 1(2) (2009) 433-442
Space group: P 31
Cell volume: 2443.53
Cell parameters: 13.6175; 13.6175; 15.2157; 90; 90; 120;

COD ID: 4511504
CIF file	Formula: - C34 H48 Cl2 Cu N8 O16 - Comments: Sarkar, Madhushree; Biradha, Kumar Interplay of Hydrogen Bonds in Assembling (4,4)-Coordination Networks: Transformations from Open to Interpenetrated Networks via Anion Exchange Crystal Growth & Design 6(8) (2006) 1742 Space group: P 31 Cell volume: 3694.9 Cell parameters: 17.943; 17.943; 13.252; 90; 90; 120;

COD ID: 4512177
CIF file	Formula: - C36 H72 Br3 Li3 O36 - Comments: Duggirala, Naga Kiran; Smith, Adam J.; Wojtas, Łukasz; Shytle, R. Douglas; Zaworotko, Michael J. Physical Stability Enhancement and Pharmacokinetics of a Lithium Ionic Cocrystal with Glucose Crystal Growth & Design 14(11) (2014) 6135 Space group: P 31 Cell volume: 3917.2 Cell parameters: 16.2665; 16.2665; 17.0945; 90; 90; 120;

COD ID: 4512893
CIF file	Formula: - C2 H5 N O2 - Comments: Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua Non-Topotactic Phase Transformations in Single Crystals of β-Glycine Crystal Growth & Design 15(6) (2015) 2568 Space group: P 31 Cell volume: 235.1 Cell parameters: 7.037; 7.037; 5.483; 90; 90; 120;

COD ID: 4512999
CIF file	Formula: - C2 H5 N O2 - Comments: Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua Non-Topotactic Phase Transformations in Single Crystals of β-Glycine Crystal Growth & Design 15(6) (2015) 2568 Space group: P 31 Cell volume: 231.16 Cell parameters: 6.9824; 6.9824; 5.4749; 90; 90; 120;

COD ID: 4514840
CIF file	Formula: - C21 H26 B N O5 S - Comments: Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters ACS Catalysis 9(9) (2019) 8503 Space group: P 31 Cell volume: 1625.8 Cell parameters: 9.9417; 9.9417; 18.9939; 90; 90; 120;

COD ID: 4514899
CIF file	Formula: - C27 H32 N2 O7 - Comments: Nanjo, Takeshi; Zhang, Xuan; Tokuhiro, Yusuke; Takemoto, Yoshiji Divergent and Scalable Synthesis of α-Hydroxy/Keto-β-amino Acid Analogues by the Catalytic Enantioselective Addition of Glyoxylate Cyanohydrin to Imines ACS Catalysis (2019) 10087 Space group: P 31 Cell volume: 1988.03 Cell parameters: 19.4343; 19.4343; 6.0779; 90; 90; 120;

COD ID: 4518140

Formula: - C42.5 H27.83 Cl4 N2.83 O4.83 -
Comments: Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ahn, Jaeyong; Ohtsu, Hiroyoshi; Kim, Jin Chul; Koo, Jin Young; Kwak, Sang Kyu; Oh, Joon Hak Surface-Doped Quasi-2D Chiral Organic Single Crystals for Chiroptical Sensing ACS Nano (2020)
Space group: P 31
Cell volume: 5304.4
Cell parameters: 11.835; 11.835; 43.729; 90; 90; 120;

COD ID: 4519244
CIF file	Formula: - C24 H19 N O2 - Comments: Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes ACS Catalysis (2021) 655-661 Space group: P 31 Cell volume: 4194 Cell parameters: 28.6928; 28.6928; 5.8824; 90; 90; 120;

COD ID: 5000048

Formula: - C37 H42 Mg N4 O7 -
Comments: Chow, H.-C.; Serlin, R.; Strouse, C. E. Crystal and Molecular Structure and Absolute Configuration of Ethyl Chlorophyllide a Dihydrate. Model for the Different Spectral Forms of Chlorophyll a Journal of the American Chemical Society 97(25) (1975) 7230-7237
Space group: P 31
Cell volume: 2590.85
Cell parameters: 8.859; 8.859; 38.119; 90; 90; 120;

COD ID: 5000057
CIF file	Formula: - C10 H20 O - Comments: Bombicz, P.; Buschmann, J.; Luger, P.; Dung, Nguyen Xuan; Nam, Chu Ba Crystal structure of (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol, (-)-menthol Zeitschrift für Kristallographie - Crystalline Materials 214(7) (1999) 420-423 Space group: P 31 Cell volume: 2342.77 Cell parameters: 21.262; 21.262; 5.984; 90; 90; 120;

COD ID: 7007431

Formula: - C24 H21 B Fe O2 -
Comments: Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B. Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity. Dalton transactions (Cambridge, England : 2003) (issue 30) (2006) 3660-3667
Space group: P 31
Cell volume: 1446.7
Cell parameters: 9.5746; 9.5746; 18.2224; 90; 90; 120;

COD ID: 7009885

Formula: - C24 H21 Co F12 N2 O7 -
Comments: Caneschi, Andrea; Gatteschi, Dante; Lalioti, Nikolia; Sangregorio, Claudio; Sessoli, Roberta Supramolecular interactions and magnetism of metal‒radical chains † Journal of the Chemical Society, Dalton Transactions (issue 21) (2000) 3907
Space group: P 31
Cell volume: 2271.8
Cell parameters: 11.295; 11.294; 20.57; 90.08; 89.93; 120.03;

COD ID: 7011035

Formula: - C65.5 H48.5 Ag2 F12 N9.5 O3 P2 -
Comments: Jacqueline Hamblin; Laura J. Childs; Nathaniel W. Alcock; Michael J. Hannon Directed one-pot syntheses of enantiopure dinuclear silver(I) and copper(I) metallo-supramolecular double helicates J. Chem. Soc., Dalton Trans. (issue 2) (2002) 164-169
Space group: P 31
Cell volume: 4880.56
Cell parameters: 14.3884; 14.3884; 27.2216; 90; 90; 120;

COD ID: 7011036
CIF file	Formula: - C24 H56 Li4 N4 Si4 - Comments: Jian-Feng Li; Lin-Hong Weng; Xue-Hong Wei; Dian-Sheng Liu Synthesis and structures of novel chiral lithium amidinates and mono- and di-lithium (1R,2R)-(−)-1,2-(NHSiMe3)2C6H10 J. Chem. Soc., Dalton Trans. (issue 7) (2002) 1401-1405 Space group: P 31 Cell volume: 2668.6 Cell parameters: 10.5111; 10.5111; 27.891; 90; 90; 120;

COD ID: 7013729

Formula: - C16 H21 N5 Ni O8 -
Comments: Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn). Dalton transactions (Cambridge, England : 2003) (issue 8) (2004) 1201-1207
Space group: P 31
Cell volume: 1481.55
Cell parameters: 9.0763; 9.0763; 20.7667; 90; 90; 120;

COD ID: 7014589

Formula: - C19 H20 Cl2 N4 Pd -
Comments: Chang, Yung-Hung; Liu, Zu-Yin; Liu, Yi-Hung; Peng, Shei-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung Palladium(II) complexes based on 1,8-naphthyridine functionalized N-heterocyclic carbenes (NHC) and their catalytic activity. Dalton transactions (Cambridge, England : 2003) 40(2) (2011) 489-494
Space group: P 31
Cell volume: 1470.55
Cell parameters: 8.9076; 8.9076; 21.4007; 90; 90; 120;

COD ID: 7018400

Formula: - C103 H90 Cl8 Ni3 P8 -
Comments: Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2). Dalton transactions (Cambridge, England : 2003) 41(12) (2012) 3503-3514
Space group: P 31
Cell volume: 8181.28
Cell parameters: 17.4335; 17.4335; 31.0829; 90; 90; 120;

COD ID: 7020273
CIF file	Formula: - C33 H27 Bi Fe3 O6 - Comments: Chandrasekhar, Vadapalli; Metre, Ramesh K. Bismuth-ferrocene carboxylates: synthesis and structure. Dalton transactions (Cambridge, England : 2003) 41(38) (2012) 11684-11691 Space group: P 31 Cell volume: 2157.9 Cell parameters: 14.261; 14.261; 12.252; 90; 90; 120;

COD ID: 7020652
CIF file	Formula: - Er F4 K - Comments: Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb). Dalton transactions (Cambridge, England : 2003) 42(2) (2013) 441-447 Space group: P 31 Cell volume: 1755.9 Cell parameters: 14.128; 14.128; 10.158; 90; 90; 120;

COD ID: 7020653
CIF file	Formula: - F4 Ho K - Comments: Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb). Dalton transactions (Cambridge, England : 2003) 42(2) (2013) 441-447 Space group: P 31 Cell volume: 1778.7 Cell parameters: 14.19; 14.19; 10.2; 90; 90; 120;

COD ID: 7022040

Formula: - C40 H58 Li2 N2 O2 Si2 -
Comments: Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes. Dalton transactions (Cambridge, England : 2003) 42(2) (2013) 507-520
Space group: P 31
Cell volume: 3075.49
Cell parameters: 11.4765; 11.4765; 26.9628; 90; 90; 120;

COD ID: 7022705

Formula: - C11 H11 N O5 Sr -
Comments: Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework. Dalton transactions (Cambridge, England : 2003) 42(18) (2013) 6603-6610
Space group: P 31
Cell volume: 961.31
Cell parameters: 10.62017; 10.62017; 9.84171; 90; 90; 120;

COD ID: 7022706

Formula: - C11 H11 N O5 Sr -
Comments: Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework. Dalton transactions (Cambridge, England : 2003) 42(18) (2013) 6603-6610
Space group: P 31
Cell volume: 967.91
Cell parameters: 10.6396; 10.6396; 9.8731; 90; 90; 120;

COD ID: 7022707

Formula: - C11 H11 N O5 Sr -
Comments: Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework. Dalton transactions (Cambridge, England : 2003) 42(18) (2013) 6603-6610
Space group: P 31
Cell volume: 958.64
Cell parameters: 10.6123; 10.6123; 9.8289; 90; 90; 120;

COD ID: 7025793

Formula: - C21 H33 N3 O2 Zn -
Comments: Ternel, Jérémy; Delevoye, Laurent; Agbossou-Niedercorn, Francine; Roisnel, Thierry; Gauvin, Régis M; Thomas, Christophe M. Design of a well-defined, silica-supported chiral Zn scaffold for enantioselective catalysis. Dalton transactions (Cambridge, England : 2003) 39(16) (2010) 3802-3804
Space group: P 31
Cell volume: 1585.79
Cell parameters: 8.9918; 8.9918; 22.6476; 90; 90; 120;

COD ID: 7031520

Formula: - C26 H28 Al N3 O -
Comments: Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide. Dalton transactions (Cambridge, England : 2003) 43(38) (2014) 14470-14480
Space group: P 31
Cell volume: 1795.4
Cell parameters: 8.9081; 8.9081; 26.125; 90; 90; 120;

COD ID: 7031966

Formula: - C40 H46 Al2 Cl Li Mn N6 -
Comments: García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S. Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe). Dalton transactions (Cambridge, England : 2003) 43(37) (2014) 14045-14053
Space group: P 31
Cell volume: 2988.1
Cell parameters: 12.457; 12.457; 22.235; 90; 90; 120;

COD ID: 7036028

Formula: - C33 H45 Cl2 N3 Si -
Comments: Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand. Dalton transactions (Cambridge, England : 2003) 44(33) (2015) 14959-14974
Space group: P 31
Cell volume: 2468.1
Cell parameters: 15.191; 15.191; 12.3499; 90; 90; 120;

COD ID: 7036409

Formula: - C25 H16 F3 N4 O6 Re S -
Comments: Maisuls, Iván; Wolcan, Ezequiel; Piro, Oscar E.; Etcheverría, Gustavo A; Petroselli, Gabriela; Erra-Ballsels, Rosa; Cabrerizo, Franco M.; Ruiz, Gustavo T. Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and spectroscopic characterization. Dalton transactions (Cambridge, England : 2003) 44(39) (2015) 17064-17074
Space group: P 31
Cell volume: 1987.9
Cell parameters: 15.166; 15.166; 9.98; 90; 90; 120;

COD ID: 7042625

Formula: - C43.78 H34 Cl3.56 N6 O6.22 Te6 -
Comments: Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides Dalton Trans. (2017)
Space group: P 31
Cell volume: 3846.6
Cell parameters: 14.4246; 14.4246; 21.3472; 90; 90; 120;

COD ID: 7044601

Formula: - C54 H68 Cl8 N2 P2 Ru2 -
Comments: Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes Dalton Trans. (2017)
Space group: P 31
Cell volume: 4185
Cell parameters: 13.5855; 13.5855; 26.1826; 90; 90; 120;

COD ID: 7045901

Formula: - C5 H13 Au Cl O P -
Comments: Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H. Dalton transactions (Cambridge, England : 2003) 47(15) (2018) 5366-5379
Space group: P 31
Cell volume: 2083.94
Cell parameters: 15.7761; 15.7761; 9.6684; 90; 90; 120;

COD ID: 7052408
CIF file	Formula: - C34 H47 Al N2 - Comments: René T. Boeré; Marcus L. Cole; Peter C. Junk The syntheses and structures of some main group complexes of the sterically hindered N,N?-bis(2,6-diisopropylphenyl)-4-toluamidinate ligand New Journal of Chemistry 29(1) (2005) 128 Space group: P 31 Cell volume: 2428.26 Cell parameters: 15.2283; 15.2283; 12.091; 90; 90; 120;

COD ID: 7052778

Formula: - C84.33 H78.33 Cl F21 O8 P2 Yb -
Comments: Lin, Yiji; Wan, Shigang; Zou, Fang; Wang, Yuekui; Zhang, Hui Structure–chiroptical property relationship of kinetically labile camphor-derivative β-diketone Yb(iii) complexes: do the adducts coexist as diastereomers or not? New Journal of Chemistry 35(11) (2011) 2584
Space group: P 31
Cell volume: 6586
Cell parameters: 14.862; 14.862; 34.432; 90; 90; 120;

COD ID: 7058501

Formula: - C28 H43 N3 Ni2 O10 S2 -
Comments: Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand New Journal of Chemistry 43(28) (2019) 11222
Space group: P 31
Cell volume: 2795.38
Cell parameters: 17.5135; 17.5135; 10.5236; 90; 90; 120;

COD ID: 7059987

Formula: - C36 H30 Cl Cu N3 P -
Comments: Kumari, Sheela; Ratnam, Anand; Mawai, Kiran; Chaudhary, Virendra Kumar; Mohanty, Aurobinda; Ghosh, Kaushik Cu(i) based catalysts derived from bidentate ligands and studies on the effect of substituents for N-arylation of benzimidazoles and indoles New Journal of Chemistry 44(45) (2020) 19591-19597
Space group: P 31
Cell volume: 2378.21
Cell parameters: 10.2089; 10.2089; 26.3489; 90; 90; 120;

COD ID: 7100845

Formula: - C17.17 H8 F6 O4 Zn -
Comments: Angeles Monge; Natalia Snejko; Enrique Gutierrez-Puebla; Manuela Medina; Concepcion Cascales; Marta Iglesias; Berta Gomez-Lor One Teflon®-like Channelled Nanoporous Polymer with a Chiral and New Uninodal 4-connected Net. Sorption and catalityc properties. Chemical Communications (2005)
Space group: P 31
Cell volume: 3008
Cell parameters: 21.224; 21.224; 7.71; 90; 90; 120;

COD ID: 7100851

Formula: - C20 H26 N O4 P -
Comments: Mario Ordonez; Carlos Cativiela; Eugenio Hernandez-Fernandez; Janet Xahuentitla Asymmetric alkylation of dimethoxyphosphoryl-N-[1-(S)-alfa-methylbenzyl)acetamide enolates. Synthesis of both stereoisomers from the same source of chirality changing the equivalents of LDA Chemical Communications (2005)
Space group: P 31
Cell volume: 1448.4
Cell parameters: 11.172; 11.172; 13.401; 90; 90; 120;

COD ID: 7102318

Formula: - C105 H90 O15 -
Comments: Dalgarno, Scott J.; Tian, Jian; Warren, John E.; Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Atwood, Jerry L. Calix[5]arene: a versatile sublimate that displays gas sorption properties Chemical Communications (Cambridge, United Kingdom) (issue 46) (2007) 4848-4850
Space group: P 31
Cell volume: 6199.4
Cell parameters: 24.2871; 24.2871; 12.1358; 90; 90; 120;

COD ID: 7102949
CIF file	Formula: - C34 H40 N2 O2 - Comments: Kim, Hyunwoo; Choi, Doo Seoung; Yen, Cindy Pai-Hui; Lough, Alan J; Song, Choong Eui; Chin, Jik Diastereoselective diaza-Cope rearrangement reaction. Chemical communications (Cambridge, England) (issue 11) (2008) 1335-1337 Space group: P 31 Cell volume: 6610.2 Cell parameters: 24.194; 24.194; 13.04; 90; 90; 120;

COD ID: 7107199

Formula: - C20 H25 O2 P -
Comments: Depeng Zhao; Lijuan Mao; Linqing Wang; Dongxu Yang; Rui Wang Catalytic asymmetric construction of tetrasubstituted carbon stereocenters by conjugate addition of dialkyl phosphine oxides to B,B-disubstituted a,B-unsaturated carbonyl compounds Chem.Commun. 48 (2012) 889
Space group: P 31
Cell volume: 1392.7
Cell parameters: 13.41; 13.41; 8.943; 90; 90; 120;

COD ID: 7107421
CIF file	Formula: - C13 H23 N O S - Comments: Juan Alberto Sirvent; Francisco Foubelo; Miguel Yus Diastereoselective indium-mediated allylation of N-tert-butanesulfinyl ketimines: easy access to asymmetric quaternary stereocenters bearing nitrogen atoms Chem.Commun. 48 (2012) 2543 Space group: P 31 Cell volume: 1120 Cell parameters: 10.109; 10.109; 12.65; 90; 90; 120;

COD ID: 7107422
CIF file	Formula: - C14 H25 N O S - Comments: Juan Alberto Sirvent; Francisco Foubelo; Miguel Yus Diastereoselective indium-mediated allylation of N-tert-butanesulfinyl ketimines: easy access to asymmetric quaternary stereocenters bearing nitrogen atoms Chem.Commun. 48 (2012) 2543 Space group: P 31 Cell volume: 1166.2 Cell parameters: 10.2768; 10.2768; 12.75; 90; 90; 120;

COD ID: 7109851
CIF file	Formula: - C19 H29 N O S - Comments: Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman Highly diastereoselective radical cyclisations of chiral sulfinimines Chem.Commun. 49 (2013) 9395 Space group: P 31 Cell volume: 4147.6 Cell parameters: 20.64863; 20.64863; 11.2327; 90; 90; 120;

COD ID: 7110535
CIF file	Formula: - C40 H72 Cl La O35 S4 - Comments: Drljaca, Alexander; Hardie, Michaele J.; Raston, Colin L.; Webb, Helen R.; Johnson, Julian A. Lanthanum(III) capture of 18-crown-6 in the cavity of p-sulfonatocalix[4]arene Chemical Communications (issue 12) (1999) 1135 Space group: P 31 Cell volume: 4625.63 Cell parameters: 20.1096; 20.1096; 13.2079; 90; 90; 120;

COD ID: 7111902
CIF file	Formula: - C21 H22.5 Gd N3 O20.25 - Comments: Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement Chem.Commun. 50 (2014) 1839 Space group: P 31 Cell volume: 3676 Cell parameters: 13.941; 13.941; 21.8405; 90; 90; 120;

COD ID: 7111954
CIF file	Formula: - C11.5 H11.5 N2 O2.5 - Comments: Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang The four-step total synthesis of (‒)-chaetominine Chem.Commun. 50 (2014) 1986 Space group: P 31 Cell volume: 3430.5 Cell parameters: 10.6073; 10.6073; 35.206; 90; 90; 120;

COD ID: 7112024
CIF file	Formula: - C49 H70 N6 O4 S3 - Comments: Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan Multifarenes: new modular cavitands Chem.Commun. 50 (2014) 2494 Space group: P 31 Cell volume: 3838.4 Cell parameters: 12.741; 12.741; 27.303; 90; 90; 120;

COD ID: 7112516

Formula: - C2 H5 N O2 -
Comments: Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation. Chemical communications (Cambridge, England) 48(48) (2012) 6031
Space group: P 31
Cell volume: 233.47
Cell parameters: 7.0111; 7.0111; 5.4843; 90; 90; 120;

COD ID: 7112926
CIF file	Formula: - C38 H32 N2 O4 - Comments: Kawamoto, Masuki; Shiga, Natsuki; Takaishi, Kazuto; Yamashita, Takashi Non-destructive erasable molecular switches and memory using light-driven twisting motions. Chemical communications (Cambridge, England) 46(44) (2010) 8344-8346 Space group: P 31 Cell volume: 6952.1 Cell parameters: 24.7849; 24.7849; 13.068; 90; 90; 120;

COD ID: 7119325
CIF file	Formula: - C21 H12 O2 - Comments: Ngamsomprasert, Niti; Dang, Jing-Shuang; Higashibayashi, Shuhei; Yakiyama, Yumi; Sakurai, Hidehiro Sumanene derivatives functionalized at the internal carbon. Chemical communications (Cambridge, England) 53(4) (2017) 697-700 Space group: P 31 Cell volume: 1031.56 Cell parameters: 9.98291; 9.98291; 11.95223; 90; 90; 120;

COD ID: 7121212

Formula: - C34.67 H38.33 Cl4.33 Fe2 N4 Pd -
Comments: Haraguchi, Ryosuke; Hoshino, Shun; Yamazaki, Tatsuro; Fukuzawa, Shin-Ichi Chiral triazolylidene-Pd-PEPPSI: synthesis, characterization, and application in asymmetric Suzuki-Miyaura cross-coupling. Chemical communications (Cambridge, England) 54(17) (2018) 2110-2113
Space group: P 31
Cell volume: 8160.5
Cell parameters: 23.629; 23.629; 16.877; 90; 90; 120;

COD ID: 7123035
CIF file	Formula: - C18 H48 B10 N6 S - Comments: Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš Thiaborane clusters with the exoskeletal B-H group Chemical Communications (2019) Space group: P 31 Cell volume: 6231 Cell parameters: 22.2424; 22.2424; 14.5434; 90; 90; 120;

COD ID: 7124712

Formula: - C19 H24 N O6 P S -
Comments: Yan, Zhong; Wu, Bo; Gao, Xiang; Zhou, Yong-Gui Enantioselective synthesis of quaternary α-aminophosphonates by Pd-catalyzed arylation of cyclic α-ketiminophosphonates with arylboronic acids. Chemical communications (Cambridge, England) 52(72) (2016) 10882-10885
Space group: P 31
Cell volume: 1522.3
Cell parameters: 9.7393; 9.7393; 18.532; 90; 90; 120;

COD ID: 7124719

Formula: - C20 H14 O2 -
Comments: Zhang, Xin; Chen, Lin; Chen, Xiang-Yu; Zhang, Hanzhi; Yang, Liuqing; Yang, Fengchun Effective separation of single-walled carbon nanotubes and their very different electrochemical behaviours. Chemical communications (Cambridge, England) 52(59) (2016) 9287-9290
Space group: P 31
Cell volume: 1094.1
Cell parameters: 10.784; 10.784; 10.863; 90; 90; 120;

COD ID: 7125156

Formula: - C19 H18 Br N O4 -
Comments: Donslund, Bjarke S.; Jessen, Nicolaj Inunnguaq; Jakobsen, Joakim Bøgelund; Monleón, Alicia; Nielsen, Rune Pagh; Jørgensen, Karl Anker Enantioselective formation of cyclopropane spiroindenes from benzofulvenes by phase transfer catalysis. Chemical communications (Cambridge, England) 52(84) (2016) 12474-12477
Space group: P 31
Cell volume: 1391.72
Cell parameters: 15.6261; 15.6261; 6.58142; 90; 90; 120;

COD ID: 7127411

Formula: - C23 H23 Cl2 N O6 -
Comments: Xu, Huacheng; Nazli, Adila; Zou, Cheng; Wang, Zhi-Peng; He, Yun Bench-stable imine surrogates for the one-pot and catalytic asymmetric synthesis of α-amino esters/ketones. Chemical communications (Cambridge, England) 56(91) (2020) 14243-14246
Space group: P 31
Cell volume: 1775.32
Cell parameters: 12.3959; 12.3959; 13.34104; 90; 90; 120;

COD ID: 7127831

Formula: - C68.02 H58.06 Cl3.98 N4 O0.67 Pd2 -
Comments: Lin, Jinqiang; Xie, Mo; Zhang, Xiaobao; Gao, Qin; Chang, Xiaoyong; Zou, Chao; Lu, Wei Helically chiral Pd(ii) complexes containing intramolecular PdPd metallophilicity as circularly polarized molecular phosphors. Chemical communications (Cambridge, England) 57(13) (2021) 1627-1630
Space group: P 31
Cell volume: 4772
Cell parameters: 20.5118; 20.5118; 13.0966; 90; 90; 120;

COD ID: 7129780

Formula: - C60 H202 Br4 Co2 Cu12 N12 O77 S12 -
Comments: San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi Serendipitous formation of oxygen-bridged CuII6M (M = MnII, CoII) double cubanes showing electrocatalytic water oxidation Chemical Communications (2022)
Space group: P 31
Cell volume: 10948.6
Cell parameters: 15.098; 15.098; 55.4613; 90; 90; 120;

COD ID: 7150124

Formula: - C16 H26 O6 -
Comments: Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C. A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer. Organic & biomolecular chemistry 3(6) (2005) 1081-1088
Space group: P 31
Cell volume: 3705.03
Cell parameters: 18.685; 18.685; 12.2539; 90; 90; 120;

COD ID: 7150179

Formula: - C31 H25 Cl N2 O -
Comments: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines. Organic & biomolecular chemistry 3(14) (2005) 2566-2571
Space group: P 31
Cell volume: 1845.7
Cell parameters: 10.0175; 10.0175; 21.2378; 90; 90; 120;

COD ID: 7150697

Formula: - C42 H44 I N O6 -
Comments: Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study Organic & Biomolecular Chemistry 7(18) (2009) 3698-3708
Space group: P 31
Cell volume: 3022.4
Cell parameters: 18.564; 18.564; 10.127; 90; 90; 120;

COD ID: 7153750

Formula: - C12 H24 Cl N O4 S -
Comments: Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines. Organic & biomolecular chemistry 12(21) (2014) 3393-3405
Space group: P 31
Cell volume: 2386.1
Cell parameters: 9.4099; 9.4099; 31.116; 90; 90; 120;

COD ID: 7153858
CIF file	Formula: - C21 H20 N2 O6 S - Comments: Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans. Organic & biomolecular chemistry 12(28) (2014) 5098-5101 Space group: P 31 Cell volume: 1583 Cell parameters: 10.104; 10.104; 17.905; 90; 90; 120;

COD ID: 7155973

Formula: - C10 H18 F3 N O S -
Comments: Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines Organic & Biomolecular Chemistry (2017)
Space group: P 31
Cell volume: 1003.55
Cell parameters: 9.6709; 9.6709; 12.3901; 90; 90; 120;

COD ID: 7156803
CIF file	Formula: - C19 H16 N2 O3 - Comments: Wang, Xiaolong; Feng, Cancan; Yang, Fan; Wu, Yangjie Pd(ii)-Catalyzed C8-H alkoxycarbonylmethylation of 1-naphthylamides with α-chloroalkyl esters. Organic & biomolecular chemistry 17(19) (2019) 4865-4868 Space group: P 31 Cell volume: 1198.21 Cell parameters: 7.6372; 7.6372; 23.721; 90; 90; 120;

COD ID: 7157744

Formula: - C36 H26 N2 O2 -
Comments: Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes. Organic & biomolecular chemistry 18(47) (2020) 9712-9725
Space group: P 31
Cell volume: 2363.77
Cell parameters: 12.9632; 12.9632; 16.2424; 90; 90; 120;

COD ID: 7158603

Formula: - C16 H26 N2 O3 S -
Comments: Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V. A stereochemical journey around spirocyclic glutamic acid analogs Organic & Biomolecular Chemistry (2022)
Space group: P 31
Cell volume: 1328.3
Cell parameters: 9.7014; 9.7014; 16.297; 90; 90; 120;

COD ID: 7158606

Formula: - C16 H26 N2 O3 S -
Comments: Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V. A stereochemical journey around spirocyclic glutamic acid analogs Organic & Biomolecular Chemistry (2022)
Space group: P 31
Cell volume: 1349.1
Cell parameters: 10.673; 10.673; 13.675; 90; 90; 120;

COD ID: 7158929
CIF file	Formula: - C16 H18 F N O2 - Comments: Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides Organic & Biomolecular Chemistry (2022) Space group: P 31 Cell volume: 1016.99 Cell parameters: 9.9484; 9.9484; 11.8653; 90; 90; 120;

COD ID: 7203852
CIF file	Formula: - C29 H49 N O6 - Comments: Sofia Candeloro De Sanctis; Angelo A. D'Archivio; Luciano Galantini; Enrico Gavuzzo; Edoardo Giglio On the role of hydronium ions in the protonated micellar aggregates of bile salts J. Chem. Soc., Perkin Trans. 2 (issue 2) (2000) 403-407 Space group: P 31 Cell volume: 2135.4 Cell parameters: 18.275; 18.275; 7.383; 90; 90; 120;

COD ID: 7204267

Formula: - C26 H24 Cr O8 -
Comments: Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis J. Chem. Soc., Perkin Trans. 1 (issue 24) (2001) 3269-3280
Space group: P 31
Cell volume: 1806.3
Cell parameters: 12.5356; 12.5356; 13.273; 90; 90; 120;

COD ID: 7211784

Formula: - C8 H2 I3 N O4 Pb -
Comments: Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid CrystEngComm 12(4) (2010) 1194
Space group: P 31
Cell volume: 935.86
Cell parameters: 9.3959; 9.3959; 12.2406; 90; 90; 120;

COD ID: 7219316

Formula: - C2 H5 N O2 -
Comments: Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm 17(7) (2015) 1513
Space group: P 31
Cell volume: 232.706
Cell parameters: 7.0051; 7.0051; 5.4758; 90; 90; 120;

COD ID: 7219317

Formula: - C2 H5 N O2 -
Comments: Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm 17(7) (2015) 1513
Space group: P 31
Cell volume: 232.797
Cell parameters: 7.0045; 7.0045; 5.4789; 90; 90; 120;

COD ID: 7219318

Formula: - C2 H5 N O2 -
Comments: Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm 17(7) (2015) 1513
Space group: P 31
Cell volume: 232.739
Cell parameters: 7.0047; 7.0047; 5.4772; 90; 90; 120;

COD ID: 7219319
CIF file	Formula: - C2 H5 N O2 - Comments: Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine CrystEngComm 17(7) (2015) 1513 Space group: P 31 Cell volume: 232.8 Cell parameters: 7.0055; 7.0055; 5.4774; 90; 90; 120;

COD ID: 7219470
CIF file	Formula: - C15 H9 N9 - Comments: Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine CrystEngComm 17(10) (2015) 2190 Space group: P 31 Cell volume: 2046.97 Cell parameters: 10.42385; 10.42385; 21.7533; 90; 90; 120;

COD ID: 7220529
CIF file	Formula: - C20 H28 O4 - Comments: yin, sheng; Zhu, Jian-Yong; Lou, Lan-Lan; Guo, Yan-Qiong; Li, Wei; Guo, Yan-Hong; Bao, Jing-Mei; Tang, Gui-Hua; Bu, Xianzhang Natural Thioredoxin Reductase Inhibitors from Jatropha integerrima RSC Adv. (2015) Space group: P 31 Cell volume: 1389.44 Cell parameters: 14.57764; 14.57764; 7.54977; 90; 90; 120;

COD ID: 7221250
CIF file	Formula: - Ba Cu2 Ge S4 - Comments: Teske, C.L. Ueber die Darstellung und roentgenographische Untersuchung von Cu2 Sr Ge S4 und Cu2 Ba Ge S4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 386-389 Space group: P 31 Cell volume: 519.632 Cell parameters: 6.215; 6.215; 15.534; 90; 90; 120;

COD ID: 7221833
CIF file	Formula: - C15 H24 O2 - Comments: Gao, J.-M.; Zhang, Qiang; Tang, Hao-Yu Endophyte inspired chemical diversity from beta-caryophyllene RSC Adv. (2015) Space group: P 31 Cell volume: 1016.6 Cell parameters: 13.7688; 13.7688; 6.1919; 90; 90; 120;

COD ID: 7224262
CIF file	Formula: - C19 H16 O - Comments: Gedu, Satyanarayana; Lodi, Mahendar Copper Catalyzed Coupling of Protecting Group Free and Sterically Hindered 2-Bromobenzyl Tertiary Alcohols with Phenols and Anilines: Facile Synthesis of Xanthenes and Dihydroacridines RSC Adv. (2016) Space group: P 31 Cell volume: 3112.3 Cell parameters: 20.6263; 20.6263; 8.4471; 90; 90; 120;

COD ID: 7225493
CIF file	Formula: - C9 H8 N4 O2 - Comments: Safin, Damir A.; Robeyns, Koen; Garcia, Yann 1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties CrystEngComm 18(38) (2016) 7284 Space group: P 31 Cell volume: 2119.17 Cell parameters: 11.7895; 11.7895; 17.6053; 90; 90; 120;

COD ID: 7226024
CIF file	Formula: - C36 H40 Cl6 N2 P Pd - Comments: Xu, Jian-Xing; Ye, Fei; Bai, Xing-Feng; Cui, Yuming; xu, zheng; Zheng, Zhan-Jiang; Xu, Li-Wen A Mechanistic Study on Multifunctional Fei-Phos Ligand-controlled Asymmetric Palladium -Catalyzed Allylic Substitutions RSC Adv. (2016) Space group: P 31 Cell volume: 2811 Cell parameters: 12.508; 12.508; 20.747; 90; 90; 120;

COD ID: 7231033

Formula: - C65 H64 Fe N12 O7 -
Comments: Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations CrystEngComm 20(29) (2018) 4141
Space group: P 31
Cell volume: 4460.67
Cell parameters: 16.9172; 16.9172; 17.9975; 90; 90; 120;

COD ID: 7231035

Formula: - C69 H70 Fe N12 O7 -
Comments: Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations CrystEngComm 20(29) (2018) 4141
Space group: P 31
Cell volume: 4633.6
Cell parameters: 17.008; 17.008; 18.496; 90; 90; 120;

COD ID: 7231093

Formula: - C11 H12 Ba N2 O5 -
Comments: Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior CrystEngComm 20(33) (2018) 4793
Space group: P 31
Cell volume: 1037.5
Cell parameters: 10.8141; 10.8141; 10.244; 90; 90; 120;

COD ID: 7238285
CIF file	Formula: - C57 H40 O4 S6 - Comments: Saad, Ali; Jeannin, Olivier; Fourmigué, Marc Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions CrystEngComm 12(11) (2010) 3866 Space group: P 31 Cell volume: 3512.6 Cell parameters: 11.2192; 11.2192; 32.2233; 90; 90; 120;

COD ID: 7245343
CIF file	Formula: - C13 H10 Cl F N2 - Comments: Destro, Riccardo; Barzaghi, Mario; Soave, Raffaella; Roversi, Pietro; Lo Presti, Leonardo Accurate experimental characterization of the labile N–Cl bond in N-chloro-N'-(p-fluorophenyl)-benzamidine crystal at 17.5 K CrystEngComm (2022) Space group: P 31 Cell volume: 859.48 Cell parameters: 10.0227; 10.0227; 9.8795; 90; 90; 120;

COD ID: 7245523
CIF file	Formula: - C20 H16 Cl3 N O - Comments: Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K. Scalable synthesis and structural characterization of reversible KLK6 inhibitors RSC Advances 12(41) (2022) 26989-26993 Space group: P 31 Cell volume: 2826.53 Cell parameters: 11.8686; 11.8686; 23.1699; 90; 90; 120;

COD ID: 7246355