Crystallography Open Database
Search results
Result: there are 146 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'I 4'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1502501 | CIF | C19 H27.25 N2 O9.63 | I 4 | 24.47; 24.47; 7.359 90; 90; 90 | 4406.4 | Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6. Organic letters, 2011, 13, 5948-5951 |
| 1505132 | CIF | C21 H14 Br2 F9 O4.5 | I 4 | 29.61; 29.61; 5.579 90; 90; 90 | 4891 | Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko Regioregular Polymerization of Fluorine-Containing Epoxides Macromolecules, 2007, 40, 6136 |
| 1506455 | CIF | C20 H22 O6 | I 4 | 19.327; 19.327; 9.814 90; 90; 90 | 3666 | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters, 2005, 7, 881-884 |
| 1516011 | CIF | C20 H32 O4 | I 4 | 20.0401; 20.0401; 9.4689 90; 90; 90 | 3802.8 | Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi Diterpenoids from the twigs and leaves of Fokienia hodginsii. Journal of natural products, 2013, 76, 1032-1038 |
| 1517273 | CIF | C82.5 H63 Br3 Cl3 N9 Rh2 | I 4 | 14.7855; 14.7855; 17.6398 90; 90; 90 | 3856.3 | Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A, 2014, 118, 10340-10352 |
| 1521370 | CIF | C27 H31 B F4 O6 | I 4 | 13.126; 13.126; 15.1338 90; 90; 90 | 2607.43 | Lamsa, Markku; Pursiainen, Jouni; Rissanen, Kari; Huuskonen, Juhani Complexation of Crown Ethers and Podands with Tropylium Cations: Determination of Stability Constants and Crystal Structure of the Dibenzo-24-Crown-8-Tropylium Cation Complex Acta Chemica Scandinavica, 1998, 52, 563-570 |
| 1521857 | CIF | Al1.7 Si3.3 U3 | I 4 | 7.6292; 7.6292; 10.8502 90; 90; 90 | 631.533 | Rogl, P.; Andre, G.; Noel, H.; Bouree, F. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M'= Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300 |
| 1521858 | CIF | Ga1.92 Si3.08 U3 | I 4 | 7.6426; 7.6426; 10.8379 90; 90; 90 | 633.035 | Rogl, P.; Noel, H.; Andre, G.; Bouree, F. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300 |
| 1521859 | CIF | Al2.06 Ge2.94 U3 | I 4 | 7.749; 7.749; 11.0365 90; 90; 90 | 662.709 | Rogl, P.; Andre, G.; Bouree, F.; Noel, H. Magnetic structures of U3 M2 (M')3, M= Al, Ga; M' = Si, Ge: a neutron powder diffraction study Journal of Magnetism and Magnetic Materials, 1999, 191, 291-300 |
| 1525610 | CIF | Ba1.114 Mo8 O16 | I 4 | 10.216; 10.216; 20.2449 90; 90; 90 | 2112.89 | Barrier, N.; Gougeon, P.; Retoux, R. Synthesis, crystal structure and TEM study of the new hollandite - type Ba8/7 Mo8 O16 Journal of Alloys Compd., 2001, 317, 120-126 |
| 1528369 | CIF | Br Cl3 O W | I 4 | 8.52; 8.52; 3.98 90; 90; 90 | 288.91 | Boorman, P.M.; Greenwood, N.N.; Whitfield, H.J. Mixed Bromide-Chloride of Tungsten(VI) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1968, 1968, 2256-2258 |
| 1529521 | CIF | F10 O9 Pb5 W3 | I 4 | 14.583; 14.583; 7.365 90; 90; 90 | 1566.27 | Abrahams, S.C.; Marsh, P.; Ravez, J. Ferroelectric structure and related properties of Pb5 W3 O9 F10 Journal of Chemical Physics, 1987, 87, 6012-6020 |
| 1530004 | CIF | Ca2 Cl2 O3 Si | I 4 | 10.698; 10.698; 9.345 90; 90; 90 | 1069.51 | Golovastikov, N.I.; Kazak, V.F. The crystal structure of calcium chlorosilicate Ca2 Si O3 Cl2 Kristallografiya, 1977, 22, 962-965 |
| 1535408 | CIF | Ba1.12 O16 Ti8 | I 4 | 10.071; 10.071; 2.962 90; 90; 90 | 300.421 | Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K. Modulated structure of a new natural member of hollandite family. Kristallografiya, 1992, 37, 598-605 |
| 1535409 | CIF | Ba1.15 O16 Ti8 | I 4 | 10.071; 10.071; 14.81 90; 90; 90 | 1502.1 | Bolotina, N.B.; Dmitrieva, M.T.; Rastsvetaeva, R.K. Modulated structure of a new natural member of hollandite family. Kristallografiya, 1992, 37, 598-605 |
| 1537407 | CIF | Cl4 O W | I 4 | 8.48; 8.48; 3.995 90; 90; 90 | 287.282 | Hess, H.; Hartung, H. Die Kristallstruktur von Wolframoxidchlorid W O Cl4 und Wolframoxidbromid W O Br4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 344, 157-166 |
| 1544464 | CIF | C31 H38 N2 O5 | I 4 | 27.2685; 27.2685; 7.6863 90; 90; 90 | 5715.3 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1548561 | CIF | C23 H29 N O3 | I 4 | 25.728; 25.728; 6.5313 90; 90; 90 | 4323.3 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548975 | CIF | C26 H15 N6 O11 Zn2 | I 4 | 27.458; 27.458; 18.225 90; 90; 90 | 13741 | Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying A trichromatic MOF composite for multidimensional ratiometric luminescent sensing. Chemical science, 2018, 9, 2918-2926 |
| 1549029 | CIF | C86 H162 Co Cr7 F8 N O33 | I 4 | 19.9066; 19.9066; 16.1991 90; 90; 90 | 6419.3 | Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions. Chemical science, 2018, 9, 3555-3562 |
| 1553345 | CIF | C27 H36 O8 | I 4 | 27.2552; 27.2552; 7.0051 90; 90; 90 | 5203.71 | Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui BACE1 Inhibitory Meroterpenoids from Aspergillus terreus. Journal of natural products, 2018, 81, 1937-1945 |
| 2002233 | CIF | Bi2 Cu O4 | I 4 | 8.484; 8.484; 5.813 90; 90; 90 | 418.4 | Arpe, R; Mueller-Buschbaum, Hk Isolierte quadratisch planare (Cu O4)6- -Polyeder in Cu Bi2 O4, ein neuer Bautyp zur Formel (Me3+)2 M2+ O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1976, 426, 1-6 |
| 2009277 | CIF Paper | C15 H18 Fe O3 | I 4 | 20.521; 20.521; 6.1384 90; 90; 90 | 2585 | Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine [(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene Acta Crystallographica Section C, 1999, 55, 2045-2047 |
| 2012217 | CIF HKL Paper | C20 H24 Cl2 N8 Ru | I 4 | 11.295; 11.295; 9.2 90; 90; 90 | 1173.71 | Bellucci, Cinzia; Cini, Renzo <i>trans</i>-Dichlorotetrakis(4-methylpyrimidine-<i>N</i>^1^)ruthenium(II) Acta Crystallographica Section C, 2001, 57, 1039-1040 |
| 2012874 | CIF HKL Paper | C7 H14 N2 O3 | I 4 | 17.929; 17.929; 5.2196 90; 90; 90 | 1677.8 | Görbitz, Carl Henrik <i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate Acta Crystallographica Section C, 2002, 58, o533-o536 |
| 2015186 | CIF HKL Paper | C40 H40 Cl2 Co N16 | I 4 | 15.649; 15.649; 8.653 90; 90; 90 | 2119 | Graham M. Davies; Harry Adams; Michael D. Ward Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant Acta Crystallographica Section C, 2005, 61, m485-m487 |
| 2017518 | CIF HKL Paper | C13.375 H25.5 O11.375 | I 4 | 20.1789; 20.1789; 8.4712 90; 90; 90 | 3449.37 | Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S. Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate Acta Crystallographica Section C, 2010, 66, o67-o70 |
| 2017799 | CIF HKL Paper | C48 H60 O16 Th | I 4 | 16.8182; 16.8182; 7.524 90; 90; 90 | 2128.2 | Nazarenko, Olga M.; Rusanova, Julia A.; Krautscheid, Harald; Domasevitch, Konstantin V. <i>catena</i>-Poly[thorium(IV)-tetrakis(μ~2~-3-carboxyadamantane-1-carboxylato)]: a quadruple helical strand driven by a synergy of coordination and hydrogen bonding Acta Crystallographica Section C, 2010, 66, m276-m279 |
| 2019085 | CIF HKL Paper | C7 H14 N2 O4 | I 4 | 18.335; 18.335; 5.141 90; 90; 90 | 1728.3 | Görbitz, Carl Henrik; Yadav, Vitthal N. An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine Acta Crystallographica Section C, 2013, 69, 888-891 |
| 2101435 | CIF Paper | C34 H44 O14.5 | I 4 | 29.145; 29.145; 7.695 90; 90; 90 | 6536.4 | Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L. Molecular and crystal structure of azadirachtin-H Acta Crystallographica Section B, 1996, 52, 145-150 |
| 2104158 | CIF HKL Paper | C48 H72 O20 Si16 | I 4 | 15.004; 15.004; 7.9872 90; 90; 90 | 1798.08 | Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R. Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate Acta Crystallographica Section B, 2008, 64, 330-337 |
| 2105339 | CIF | Ag Bi Cr4 O14 | I 4 | 8.4944; 8.4944; 8.1313 90; 90; 90 | 586.713 | Roult, G.; Riou, A. Etude par Diffraction X et par Diffraction Neutronique en Temps de Vol de la Structure de Ag Bi (Cr2 O7)2 Acta Crystallographica B (24,1968-38,1982), 1980, 36, 1327-1331 |
| 2106473 | CIF | Ba F5 Fe | I 4 | 14.919; 14.919; 7.609 90; 90; 90 | 1693.58 | von der Muehll, R.; Andersson, S.; Galy, J. Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2345-2353 |
| 2106474 | CIF | Al F5 Sr | I 4 | 14.089; 14.089; 7.617 90; 90; 90 | 1511.97 | von der Muehll, R.; Andersson, S.; Galy, J. Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2345-2353 |
| 2205445 | CIF HKL Paper | C8 H16 O4 | I 4 | 10.4974; 10.4974; 4.0967 90; 90; 90 | 451.44 | Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A. A low-temperature redetermination of metaldehyde Acta Crystallographica Section E, 2005, 61, o857-o859 |
| 2230031 | CIF HKL Paper | C24 H22 Cu N3 O5.5 | I 4 | 22.527; 22.527; 10.29 90; 90; 90 | 5222 | Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Li, Jinghong [<i>N</i>-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)threoninato-κ^2^<i>O</i>^1^,<i>N</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) hemihydrate Acta Crystallographica Section E, 2011, 67, m536 |
| 2310939 | CIF | H2 Th | I 4 | 4.1; 4.1; 5.03 90; 90; 90 | 84.554 | Rundle, R.E.; Shull, C.G.; Woolan, E.O. The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction Acta Crystallographica (1,1948-23,1967), 1952, 5, 22-26 |
| 2310940 | CIF | H2 Zr | I 4 | 3.52; 3.52; 4.449 90; 90; 90 | 55.125 | Rundle, R.E.; Shull, C.G.; Wollan, E.O. The crystal structure of thorium and zirconium dihydrides by x-ray and neutron diffraction Acta Crystallographica (1,1948-23,1967), 1952, 5, 22-26 |
| 4020849 | CIF | C46 H50 B N O7 S Si | I 4 | 31.2194; 31.2194; 9.953 90; 90; 90 | 9700.7 | Ho-Kee Yim; Henry N. C. Wong Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides Journal of Organic Chemistry, 2004, 69, 2892-2895 |
| 4020902 | CIF | C18 H18.5 O1.25 S | I 4 | 18.7908; 18.7908; 8.8313 90; 90; 90 | 3118.28 | Paul Leong; Mark Lautens Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles Journal of Organic Chemistry, 2004, 69, 2194-2196 |
| 4024284 | CIF | C72 H128 O62 S4 | I 4 | 22.368; 22.368; 23.151 90; 90; 90 | 11583.1 | Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes Journal of Organic Chemistry, 2009, 74, 1082-1092 |
| 4027210 | CIF | C19 H26 N2 O8 | I 4 | 36.7114; 36.7114; 6.5334 90; 90; 90 | 8805.24 | Jory Lietard; Christian J. Leumann Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA Journal of Organic Chemistry, 2012, 77, 4566-4577 |
| 4028847 | CIF | C11 H19 N O5 | I 4 | 16.9621; 16.9621; 9.6648 90; 90; 90 | 2780.69 | Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide Journal of Organic Chemistry, 2013, 78, 12397-12408 |
| 4031372 | CIF | Cl3 F2 Sb | I 4 | 12.81; 12.81; 7.282 90; 90; 90 | 1194.95 | Ballard, J.G.; Slim, D.R.; Birchall, T. Preparation of antimony(V) trichloride difluoride and its characterization by means of X-Ray crystallography, antimony-121 Moessbauer, and Raman spectroscopy Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1977, 1977, 1469-1472 |
| 4032511 | CIF | C38 H40 Cl N2 O2 Rh S | I 4 | 28.8531; 28.8531; 10.2856 90; 90; 90 | 8562.8 | Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations. The Journal of organic chemistry, 2017, 82, 5607-5615 |
| 4034874 | CIF | C26 H40 O5.25 Si | I 4 | 28.813; 28.813; 6.1244 90; 90; 90 | 5084.4 | Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons. The Journal of organic chemistry, 2018, 83, 13888-13910 |
| 4068322 | CIF | C31 H40 Fe O2.5 | I 4 | 25.967; 25.967; 8.1833 90; 90; 90 | 5517.9 | Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives Organometallics, 2009, 28, 1414 |
| 4069126 | CIF | C45 H70 N2 O1.5 | I 4 | 23.821; 23.821; 15.377 90; 90; 90 | 8725.5 | Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands Organometallics, 2009, 28, 3256 |
| 4105586 | CIF | C55 H74 N2 O10 Si | I 4 | 21.3411; 21.3411; 27.0738 90; 90; 90 | 12330.6 | Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis Journal of the American Chemical Society, 2011, 133, 1506-1516 |
| 4114130 | CIF | C356 H569 Ba2 Cl6 N99 O109 Si16 | I 4 | 30.797; 30.797; 25.8915 90; 90; 90 | 24556.9 | Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes Journal of the American Chemical Society, 2003, 125, 10830-10841 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!