Crystallography Open Database
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Searching space group like 'I 1 2 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1565178 | CIF | C42.64 H56.23 Cl3.11 N16 O5.46 | I 1 2 1 | 12.00486; 18.58877; 23.79439 90; 96.15; 90 | 5279.29 | Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke Chiral, Sequence-Definable Foldamer-Derived Macrocycles Chemical Science, 2021 |
| 1565504 | CIF | C24 H30 O6 | I 1 2 1 | 18.8062; 5.4589; 21.9181 90; 108.589; 90 | 2132.75 | 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 |
| 1566609 | CIF | C76.5 Fe N4 O27.5 S2 Si16 | I 1 2 1 | 37.4731; 17.2234; 42.6209 90; 103.053; 90 | 26797.4 | Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli Chiral Molecular Nanosilicas Chemical Science, 2022 |
| 1567256 | CIF | C50 H86 N2 O4.25 Y | I 1 2 1 | 21.9272; 11.1967; 41.785 90; 92.244; 90 | 10250.9 | Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands Polymer Chemistry, 2022, 13, 4249-4259 |
| 1567793 | CIF | C20 H18 F5 N O5 | I 1 2 1 | 20.3374; 7.1756; 14.0098 90; 92.999; 90 | 2041.69 | Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979 |
| 1568070 | CIF | C48 H108 Cl12 Cu3 N6 | I 1 2 1 | 20.7149; 18.0468; 19.5556 90; 107.343; 90 | 6978.3 | Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines. Nanoscale, 2023, 15, 1595-1601 |
| 1568073 | CIF | C48 H108 Cl12 Cu3 N6 | I 1 2 1 | 20.4795; 18.1694; 19.6068 90; 107.039; 90 | 6975.5 | Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines. Nanoscale, 2023, 15, 1595-1601 |
| 1568194 | CIF | C7 H10 O3 S | I 1 2 1 | 12.599; 6.90114; 18.8705 90; 102.949; 90 | 1599.02 | Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties Polymer Chemistry, 2023, 14, 623-632 |
| 1569103 | CIF | C162 H324 K9 Mo3 N18 O54 Sb24 | I 1 2 1 | 25.8992; 25.3671; 38.125 90; 92.409; 90 | 25025.5 | Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes. Materials horizons, 2023, 10, 2997-3004 |
| 2001658 | CIF Paper | C29 H52 O7 | I 1 2 1 | 19.14; 7.635; 19.838 90; 99.84; 90 | 2856 | Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Balakrishna, K. Structure of vicogenin Acta Crystallographica Section C, 1993, 49, 1240-1242 |
| 2002794 | CIF | Ba2 O9 P2 V | I 1 2 1 | 9.4707; 5.4433; 16.97197 90; 101.648; 90 | 856.9 | Wadewitz, C; Mueller-Buschbaum, Hk Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 1290-1294 |
| 2004137 | CIF Paper | C4 H5 K2 O6.5 | I 1 2 1 | 12.551; 5.0137; 12.7 90; 104.62; 90 | 773.3 | Boese, R.; Bläser, D.; Latz, R.; Piennisch, M. Dipotassium <small>L</small>-Tartrate Semihydrate Acta Crystallographica Section C, 1995, 51, 2227-2229 |
| 2008148 | CIF Paper | C6 H10 O6 | I 1 2 1 | 7.0863; 4.3394; 13.2126 90; 90.147; 90 | 406.29 | Gerkin, Roger E. Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether] Acta Crystallographica Section C, 1999, 55, 209-211 |
| 2011631 | CIF HKL Paper | C11 H13 N3 O4 | I 1 2 1 | 15.995; 6.865; 21.934 90; 94.16; 90 | 2402.1 | Swenson, Dale C.; Nair, Vasu; Bera, Sanjib A dideoxydidehydronucleoside derivative Acta Crystallographica Section C, 2000, 56, e600-e601 |
| 2012029 | CIF HKL Paper | C26 H24 Cl2 Ni P2 | I 1 2 1 | 12.4551; 7.9901; 13.035 90; 105.983; 90 | 1247.1 | Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C, 2001, 57, 690-693 |
| 2012030 | CIF HKL Paper | C26 H24 Cl2 Ni P2 | I 1 2 1 | 12.5688; 8.0208; 13.0871 90; 105.531; 90 | 1271.2 | Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S. A new polymorph, form <i>C</i>, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II) Acta Crystallographica Section C, 2001, 57, 690-693 |
| 2015931 | CIF HKL Paper | Ag3 F2 H4 N O6 P2 | I 1 2 1 | 30.895; 5.5976; 9.7522 90; 90.027; 90 | 1686.5 | Weil, Matthias NH~4~Ag~3~(PO~3~F)~2~, a layered monofluorophosphate(V) with seven different Ag sites Acta Crystallographica Section C, 2007, 63, i31-i33 |
| 2016711 | CIF HKL Paper | C H6 Cl N2 Na O2 | I 1 2 1 | 6.4845; 5.2362; 17.3497 90; 90.152; 90 | 589.09 | Müller, S.; Schäfer, O.; Keller, E. Rock salt‒urea‒water (1/1/1) at 293 and 117K Acta Crystallographica Section C, 2008, 64, m300-m304 |
| 2022406 | CIF HKL Paper | C9 H18 O5 | I 1 2 1 | 13.7349; 5.0575; 16.08 90; 109.02; 90 | 1056 | Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S. Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters Acta Crystallographica Section C, 2021, 77 |
| 2104067 | CIF Paper | C53 H100 O6 | I 1 2 1 | 22.7149; 5.65579; 85.11 90; 90.204; 90 | 10934.1 | van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B, 2008, 64, 249-259 |
| 2104068 | CIF Paper | C53 H102 O6 | I 1 2 1 | 22.2531; 5.6339; 85.263 90; 90.797; 90 | 10688.5 | van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B, 2008, 64, 249-259 |
| 2104069 | CIF Paper | C53 H100 O6 | I 1 2 1 | 22.988; 5.6407; 86.265 90; 93.523; 90 | 11164.7 | van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B, 2008, 64, 249-259 |
| 2104070 | CIF Paper | C53 H102 O6 | I 1 2 1 | 22.7505; 5.6498; 86.746 90; 93.968; 90 | 11123.2 | van Mechelen, Jan B.; Peschar, Rene; Schenk, Henk Structures of mono-unsaturated triacylglycerols. IV. The highest melting β'-2 polymorphs of <i>trans</i>-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability Acta Crystallographica Section B, 2008, 64, 249-259 |
| 2104692 | CIF HKL Paper | C4 H9 N O2 | I 1 2 1 | 9.646; 5.2145; 42.885 90; 100.295; 90 | 2122.3 | Görbitz, Carl Henrik <small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4 Acta Crystallographica Section B, 2010, 66, 253-259 |
| 2200371 | CIF HKL Paper | C22 H27 Cl2 N Pb | I 1 2 1 | 10.3759; 9.7074; 10.84 90; 92.432; 90 | 1090.85 | Howie, R. Alan; .; Wardell, James L. Tetramethylammonium dichlorotriphenylplumbate Acta Crystallographica Section E, 2001, 57, m256-m258 |
| 2224136 | CIF HKL Paper | C15 H13 Br2 N O | I 1 2 1 | 15.523; 9.3533; 21.527 90; 109.287; 90 | 2950.1 | Xia, Dong-Guo; Ye, Ya-Fen; Lei, Ke-Wei 2,4-Dibromo-6-{(<i>E</i>)-[(<i>R</i>)-1-phenylethyl]iminomethyl}phenol Acta Crystallographica Section E, 2009, 65, o3168 |
| 2232690 | CIF HKL Paper | C18 H28 N4 O6 | I 1 2 1 | 21.1662; 9.8317; 22.565 90; 117.163; 90 | 4177.9 | Wu, Xuefen; Chen, Xi; Hou, Yimin 2-Methoxy-<i>N</i>-[(<i>S</i>)-3-methylbutan-2-yl]-6-{[(<i>S</i>)-3-methylbutan-2-yl]amino}-3,5-dinitrobenzamide Acta Crystallographica Section E, 2011, 67, o3482 |
| 2241563 | CIF HKL Paper | C10 H14 Cl3 N O5 | I 1 2 1 | 14.8821; 5.5847; 17.2971 90; 105.847; 90 | 1382.96 | Oishi, Takeshi; Yasushima, Daichi; Yuasa, Kihiro; Sato, Takaaki; Chida, Noritaka Crystal structure of (+)-methyl (<i>E</i>)-3-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate Acta Crystallographica Section E, 2016, 72, 343-346 |
| 2241874 | CIF HKL | C18 H23 Br N2 O8 | I 1 2 1 | 6.1456; 5.6385; 28.2561 90; 94.147; 90 | 976.57 | Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate Acta Crystallographica Section E, 2016, 72, 1544-1548 |
| 2241898 | CIF HKL Paper | C18 H23 Cl N2 O8 | I 1 2 1 | 6.1768; 5.4349; 28.7651 90; 98.14; 90 | 955.92 | Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of <small>L</small>-dopa HCl and isotypic with its bromide counterpart Acta Crystallographica Section E, 2016, 72, 1628-1632 |
| 2242824 | CIF Paper | C6 H6 Cs Na O7 | I 1 2 1 | 10.8913; 5.5168; 17.7908 90; 97.014; 90 | 1060.96 | Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E, 2019, 75, 223-227 |
| 2242825 | CIF | C6 H6 Cs Na O7 | I 1 2 1 | 10.8918; 5.5166; 17.7909 90; 97.016; 90 | 1060.97 | Cigler, Andrew J.; Kaduk, James A. Sodium rubidium hydrogen citrate, NaRbHC~6~H~5~O~7~, and sodium caesium hydrogen citrate, NaCsHC~6~H~5~O~7~: crystal structures and DFT comparisons Acta Crystallographica Section E, 2019, 75, 223-227 |
| 2243713 | CIF HKL Paper | C17 H14 O5 | I 1 2 1 | 18.9581; 6.6461; 22.4043 90; 94.163; 90 | 2815.4 | Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat Isolation and crystal structure of lawinal Acta Crystallographica Section E, 2021, 77, 75-78 |
| 2300193 | CIF Paper | C50 H64 O16 | I 1 2 1 | 21.1388; 9.1628; 24.5916 90; 98.1462; 90 | 4715.1 | Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography, 2008, 41, 292-301 |
| 2300194 | CIF Paper | C50 H64 O16 | I 1 2 1 | 21.0262; 9.1138; 24.3796 90; 98.3396; 90 | 4622.43 | Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography, 2008, 41, 292-301 |
| 2300195 | CIF Paper | C50 H64 O16 | I 1 2 1 | 20.9107; 9.0536; 24.2008 90; 98.9412; 90 | 4525.95 | Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography, 2008, 41, 292-301 |
| 2300373 | CIF Paper | H18 O12 S | I 1 2 1 | 7.44247; 7.445; 26.1168 90; 125.043; 90 | 1184.78 | Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S. Structure and thermal expansion of sulfuric acid octahydrate Journal of Applied Crystallography, 2012, 45, 1198-1207 |
| 2310497 | CIF | Ca3 H34 O45 V10 | I 1 2 1 | 16.834; 10.156; 10.921 90; 93.13; 90 | 1864.33 | Swallow, A.G.; Ahmed, F.R.; Barnes, W.H. The crystal structure of pascoite, Ca3 V10 O28 (H2 O)17 Acta Crystallographica (1,1948-23,1967), 1966, 21, 397-405 |
| 2312023 | CIF HKL Paper | C14 H18 N2 O5 S | I 1 2 1 | 7.66978; 8.7286; 23.7524 90; 98.7356; 90 | 1571.69 | Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G. Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2<i>H</i>-pyran-2-yl]sulfan-yl}nicotino-nitrile. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1751-1754 |
| 2312396 | CIF Paper | C27 H41 N3 O5 | I 1 2 1 | 40.2744; 5.0976; 27.698 90; 105.729; 90 | 5473.5 | Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 56-61 |
| 4020309 | CIF | C31 H56 O6 Si | I 1 2 1 | 22.109; 8.375; 19.32 90; 103.04; 90 | 3485.1 | Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White Journal of Organic Chemistry, 2005, 70, 5449-5460 |
| 4021074 | CIF | C23 H25 N O2 S2 | I 1 2 1 | 13.011; 8.762; 18.586 90; 94.84; 90 | 2111.3 | Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids The Journal of Organic Chemistry, 2004, 69, 8681-8693 |
| 4021686 | CIF | C26 H25 N O2 | I 1 2 1 | 17.077; 6.1; 20.335 90; 94.74; 90 | 2111.1 | Mercedes Amat; Carmen Escolano; Oscar Lozano; Arantxa Gómez-Esqué; Rosa Griera; Elies Molins; Joan Bosch Alkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams. Enantioselective Synthesis of β-Substituted Piperidines Journal of Organic Chemistry, 2006, 71, 3804-3815 |
| 4022573 | CIF | C25 H46 O6 Si2 | I 1 2 1 | 11.811; 7.5016; 34.063 90; 94.85; 90 | 3007.2 | Michael Klein; Manfred Zabel; Günther Bernhardt; Burkhard König Tetrahydroxy 10-Membered Cyclic Enediynes Journal of Organic Chemistry, 2003, 68, 9379-9383 |
| 4026552 | CIF | C40 H58 Br4 N2 O3 Si2 Zn | I 1 2 1 | 8.7606; 14.0441; 19.0306 90; 102.267; 90 | 2287.97 | Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts Journal of Organic Chemistry, 2011, 76, 7065-7075 |
| 4029512 | CIF | C24 H40 O3 | I 1 2 1 | 15.9947; 6.2325; 21.7799 90; 99.498; 90 | 2141.41 | Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F. Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol. The Journal of organic chemistry, 2014, 79, 5636-5643 |
| 4031373 | CIF | Cl6.5 F3.5 Sb2 | I 1 2 1 | 12.921; 7.423; 12.921 90; 90.1; 90 | 1239.29 | Ballard, J.G.; Slim, D.R.; Birchall, T. X-ray crystal structure of tetra-antimony(V) tridecachloride heptachloride, (Sb2 Cl6.5 F3.5)2 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1979, 1979, 62-65 |
| 4031472 | CIF | C7 H4 K4 N7 O2 Re | I 1 2 1 | 9.244; 8.998; 9.241 90; 92.53; 90 | 767.894 | Manoli, J.M.; Potvin, C.; Bregeault, J.M.; Griffith, W.P. Crystal structure of potassium heptacyanorhenate(III) dihydrate Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1980, 1980, 192-195 |
| 4034572 | CIF | C46 H63 O8 | I 1 2 1 | 28.4549; 6.8073; 70.292 90; 96.374; 90 | 13531.5 | Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels. The Journal of organic chemistry, 2019, 84, 13595-13603 |
| 4034715 | CIF | C22 H31 N5 O3 Si | I 1 2 1 | 23.3389; 15.1799; 42.3532 90; 102.714; 90 | 14637.1 | Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir. The Journal of organic chemistry, 2018, 83, 15512-15523 |
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