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