Crystallography Open Database

Search results

Result: there are 314 entries in the selection

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P 31'

COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1541709	CIF	C4 H O4 Re	P 31	14.9733; 14.9733; 6.9984 90; 90; 120	1358.83	Masciocchi, N.; Sironi, A.; d'Alfonso, G.; Garavaglia, L. Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane Angew. Chem. Int. ed., 2000, 39, 4478-4480
1541785	CIF	H8 N7 O15 Tm	P 31	11.2496; 11.2496; 9.316 90; 90; 120	1021.02	Manek, E.; Meyer, G. Synthese und Struktur der ternaeren Ammoniumnitrate (N H4)2 (M (N O3)5) (M= Tb - Lu, Y) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1237-1240
1544951	CIF	C16 H22 O3	P 31	14.6149; 14.6149; 6.24615 90; 90; 120	1155.41	Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016
1545277	CIF	C18 H26 N2 O4	P 31	9.4759; 9.4759; 16.7019 90; 90; 120	1298.79	Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue. Organic letters, 2017, 19, 1152-1155
1545369	CIF	C19 H30 B N O3	P 31	9.7577; 9.7577; 17.8748 90; 90; 120	1473.9	Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage Chem. Sci., 2017, 8, 3529
1547386	CIF	C28 H33 Au Cl Fe P	P 31	9.7478; 9.7478; 23.296 90; 90; 120	1917	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology, 2013, 3, 3007-3012
1547684	CIF	C18 H31.5 O1.12	P 31	23.112; 23.112; 7.0532 90; 90; 120	3262.8	Bartels, Florian; Hong, Young J.; Ueda, Daijiro; Weber, Manuela; Sato, Tsutomu; Tantillo, Dean J.; Christmann, Mathias Bioinspired Synthesis of Pentacyclic Onocerane Triterpenoids Chem. Sci., 2017
1548482	CIF	C24 H26 F3 N3 O2 S	P 31	18.8083; 18.8083; 5.8941 90; 90; 120	1805.71	Jeffrey A. Boerth; Joshua R. Hummel; Jonathan A. Ellman Highly Stereoselective Co(III)-Catalyzed Three-Component C-H Bond Addition Cascade Angewandte Chemie International Edition Engl., 2016, 55, 12650-12654
1551011	CIF	C28 H20 O2	P 31	9.3566; 9.3566; 19.436 90; 90; 120	1473.6	Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures Chemical Science, 2019
1551232	CIF	C30 H41 B N7 O2 P W	P 31	10.6921; 10.6921; 25.0214 90; 90; 120	2477.24	Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F. Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 10628-10641
1551376	CIF	C162 H84 N24 O18	P 31	19.5973; 19.5973; 27.8613 90; 90; 120	9266.7	Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction Nature Chemistry, 2014, 6, 779-784
1556259	CIF	C18 H19 N3 O3	P 31	11.1056; 11.1056; 11.3593 90; 90; 120	1213.29	Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W. Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist Organic Process Research & Development, 2013, 17, 934
1556579	CIF	C2 H5 N O2	P 31	7.395; 7.395; 5.75 90; 90; 120	272.32	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1559765	CIF	C15 H19 N3 O	P 31	22.0392; 22.0392; 7.1184 90; 90; 120	2994.36	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1562889	CIF	C26 H30 O9	P 31	11.4643; 11.4643; 16.5327 90; 90; 120	1881.78	Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>. Journal of natural products, 2021
1563132	CIF	C57 H51 Cl2 F4 Fe N3	P 31	14.6606; 14.6606; 22.0189 90; 90; 120	4098.55	Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study Catalysis Science & Technology, 2021, 11, 4605-4618
1565126	CIF	C30 H21 Br N2 O2	P 31	15.9745; 15.9745; 7.8531 90; 90; 120	1735.51	Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls Chemical Science, 2021
1565501	CIF	C26 H34 O7	P 31	8.8916; 8.8916; 25.8071 90; 90; 120	1766.97	Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18. Journal of natural products, 2021, 84, 2953-2960
1566521	CIF	C64 H86 Cl2 N6 O6	P 31	20.2894; 20.2894; 13.6577 90; 90; 120	4869.1	Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M. Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation Chemical Science, 2022
1567703	CIF	C28 H25 N O2 S	P 31	10.2503; 10.2503; 18.6428 90; 90; 120	1696.35	Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes Chemical Science, 2022, 13, 12396-12402

Back to the search form
Your own data is not in the COD? Deposit it, thanks!