Crystallography Open Database

Result : There are 76 entries in the selection

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Searching space group like 'P 2 21 21'

COD ID: 1506944
CIF file Formula: - C19 H24 N O6 V -
Comments: Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids. Organic letters 6(24) (2004) 4471-4474
Space group: P 2 21 21
Cell volume: 1977.66
Cell parameters: 6.661; 9.106; 32.605; 90; 90; 90;  

COD ID: 1513226
CIF file Formula: - C20 H28 O5 -
Comments: Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei. Journal of natural products 76(12) (2013) 2253-2262
Space group: P 2 21 21
Cell volume: 1838.26
Cell parameters: 6.506; 13.7; 20.624; 90; 90; 90;  

COD ID: 1513816
CIF file Formula: - C20 H20 Cl F3 N2 O5 -
Comments: Chen, Qiao; Wang, Guoqiang; Jiang, Xianxing; Xu, Zhaoqing; Lin, Li; Wang, Rui Highly enantioselective organocatalyzed vinylogous Michael-type reaction for the construction of trifluoromethylated all-carbon quaternary stereocenters. Organic letters 16(5) (2014) 1394-1397
Space group: P 2 21 21
Cell volume: 2308.1
Cell parameters: 7.6488; 16.8386; 17.921; 90; 90; 90;  

COD ID: 1546006
CIF file Formula: - C15 H27 N O4 -
Comments: Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate. Organic letters 19(10) (2017) 2754-2757
Space group: P 2 21 21
Cell volume: 814.62
Cell parameters: 6.02696; 8.5237; 15.8573; 90; 90; 90;  

COD ID: 1555818
CIF file Formula: - C29 H23 O2 P Se -
Comments: Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom. Organic letters 18(20) (2016) 5264-5267
Space group: P 2 21 21
Cell volume: 2326.4
Cell parameters: 7.4297; 13.2923; 23.557; 90; 90; 90;  

COD ID: 1556096
CIF file Formula: - C17 H32 N2 O5 -
Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy. The journal of physical chemistry. A 118(40) (2014) 9568-9574
Space group: P 2 21 21
Cell volume: 2164.95
Cell parameters: 10.1695; 17.5711; 12.1157; 90; 90; 90;  

COD ID: 2007216
CIF file

Original IUCr paper

 Formula: - C20 H34.5 O8.25 -
Comments: Drouin, Marc; Dodier, Marco; Ruest, Luc 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives Acta Crystallographica Section C 54(5) (1998) 687-693
Space group: P 2 21 21
Cell volume: 4151
Cell parameters: 9.0121; 18.08; 25.476; 90; 90; 90;  

COD ID: 2007550
CIF file

HKL data

Original IUCr paper

 Formula: - C16 H28 Cl3 Co N6 O16 -
Comments: Hideaki Kanno; Shunji Utsuno; Junnosuke Fujita; Kinya Iijima Absolute Configuration of (+)~589~-(4,4'-Dimethoxy-2,2'-bipyridine 1,1'-dioxide-<i>O</i>,<i>O</i>')bis(ethylene-diamine-<i>N</i>,<i>N</i>')cobalt(III) Triperchlorate Acta Crystallographica Section C 54(8) (1998) 1083-1085
Space group: P 2 21 21
Cell volume: 1360
Cell parameters: 11.28; 13.417; 8.986; 90; 90; 90;  

COD ID: 2012566
CIF file

HKL data

Original IUCr paper

 Formula: - C27 H29 N O2 -
Comments: Vasuki, G; Parthasarathi, V; Ramamurthi, K; Jindal, D. P; Dubey, S 4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile Acta Crystallographica Section C 58(3) (2002) o162-o163
Space group: P 2 21 21
Cell volume: 2181.5
Cell parameters: 7.7638; 8.4584; 33.22; 90; 90; 90;  

COD ID: 2017622
CIF file

HKL data

Original IUCr paper

 Formula: - C32 H52 N2 -
Comments: Mudianta, I. Wayan; Garson, Mary J.; Bernhardt, Paul V. The 293K structure of tetradehydrohaliclonacyclamine A Acta Crystallographica Section C 66(4) (2010) o176-o178
Space group: P 2 21 21
Cell volume: 2952.47
Cell parameters: 9.8895; 16.1689; 18.4642; 90; 90; 90;  

COD ID: 2021315
CIF file

HKL data

Original IUCr paper

 Formula: - C11 H12 N2 O -
Comments: Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation Acta Crystallographica Section C 74(11) (2018)
Space group: P 2 21 21
Cell volume: 1147.3
Cell parameters: 7.153; 7.4824; 21.437; 90; 90; 90;  

COD ID: 2101300
CIF file

Original IUCr paper

 Formula: - C13 H12 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 2 21 21
Cell volume: 2025.2
Cell parameters: 5.13; 18.65; 21.168; 90; 90; 90;  

COD ID: 2106305
CIF file Formula: - H6 N4 O9 -
Comments: Einstein, F.W.B.; Tuck, D.G. A refinement of the crystal structure of N H4 N O3 (H N O3)2 Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1117-1120
Space group: P 2 21 21
Cell volume: 378.684
Cell parameters: 6.57; 12.64; 4.56; 90; 90; 90;  

COD ID: 2202924
CIF file

HKL data

Original IUCr paper

 Formula: - C18 H28 N2 -
Comments: Fallon, Gary D.; Illesinghe, Jayamini; Campi, Eva M.; Jackson, W. Roy; Robinson, Andrea J. 1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-dimethylpyrrolidin-1-yl]benzene Acta Crystallographica Section E 59(8) (2003) o1163-o1164
Space group: P 2 21 21
Cell volume: 808.59
Cell parameters: 8.5423; 8.8892; 10.6486; 90; 90; 90;  

COD ID: 2212443
CIF file

HKL data

Original IUCr paper

 Formula: - C9 H15 N O5 -
Comments: Simone, Michela; Fleet, George W. J.; Bream, Richard; Watkin, David J. 5-Amino-5-deoxy-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>L</small>-lyxono-1,5-lactam Acta Crystallographica Section E 63(3) (2007) o1409-o1411
Space group: P 2 21 21
Cell volume: 1069.2
Cell parameters: 6.2423; 12.0919; 14.1651; 90; 90; 90;  

COD ID: 2223470
CIF file

HKL data

Original IUCr paper

 Formula: - C4 H2 Br N O3 -
Comments: Parrish, Damon; Tivitmahaisoon, Parcharee; Rehberg, Gretchen M.; Kastner, Margaret E. 4-Bromo-2<i>H</i>-1,3-oxazine-2,6(3<i>H</i>)-dione Acta Crystallographica Section E 65(10) (2009) o2355
Space group: P 2 21 21
Cell volume: 1146.6
Cell parameters: 7.8913; 11.8481; 12.264; 90; 90; 90;  

COD ID: 2238039
CIF file

HKL data

Original IUCr paper

 Formula: - C26 H16 N2 S4 -
Comments: Uludağ, Nesimi; Ateş, Murat; Çaylak Delibaş, Nagihan; Çelik, Ömer; Hökelek, Tuncer 9<i>H</i>-Carbazole-9-carbothioic dithioperoxyanhydride Acta Crystallographica Section E 69(5) (2013) o771
Space group: P 2 21 21
Cell volume: 1062.79
Cell parameters: 3.9207; 14.9355; 18.1494; 90; 90; 90;  

COD ID: 2238535
CIF file

HKL data

Original IUCr paper

 Formula: - C24 H26 N2 S -
Comments: Bernès, Sylvain; Hernández-Téllez, Guadalupe; Sharma, Manju; Portillo-Moreno, Oscar; Gutiérrez, René 2,5-Bis{[(‒)-(<i>S</i>)-1-(4-methylphenyl)ethyl]iminomethyl}thiophene Acta Crystallographica Section E 69(9) (2013) o1428
Space group: P 2 21 21
Cell volume: 1066.3
Cell parameters: 6.278; 7.9; 21.5; 90; 90; 90;  

COD ID: 4020969
CIF file Formula: - C25 H24 N2 O4 S Se -
Comments: Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions Journal of Organic Chemistry 69 (2004) 3976-3978
Space group: P 2 21 21
Cell volume: 2345.2
Cell parameters: 7.2339; 9.2254; 35.142; 90; 90; 90;  

COD ID: 4021781
CIF file Formula: - C21 H25 N O4 S -
Comments: Lucile A. Gandon; Alexander G. Russell; Tatyana Güveli; Angela E. Brodwolf; Benson M. Kariuki; Neil Spencer; John S. Snaith Synthesis of 2,4-Disubstituted Piperidines via Radical Cyclization: Unexpected Enhancement in Diastereoselectivity with Tris(trimethylsilyl)silane Journal of Organic Chemistry 71 (2006) 5198-5207
Space group: P 2 21 21
Cell volume: 2093.85
Cell parameters: 5.7186; 11.3015; 32.3981; 90; 90; 90;  

COD ID: 4026466
CIF file Formula: - C16 H26 N2 O12 -
Comments: Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones Journal of Organic Chemistry 76 (2011) 5972-5984
Space group: P 2 21 21
Cell volume: 923.577
Cell parameters: 4.558; 6.828; 29.676; 90; 90; 90;  

COD ID: 4027700
CIF file Formula: - C31 H10 F20 O4 -
Comments: Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures Journal of Organic Chemistry 77 (2012) 10145-10157
Space group: P 2 21 21
Cell volume: 3109.9
Cell parameters: 7.5263; 11.7755; 35.09; 90; 90; 90;  

COD ID: 4027881
CIF file Formula: - C23 H23 N3 O6 S -
Comments: Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring Journal of Organic Chemistry 78 (2013) 899-909
Space group: P 2 21 21
Cell volume: 2361
Cell parameters: 6.604; 15.955; 22.405; 90; 90; 90;  

COD ID: 4029670
CIF file Formula: - C30 H22 Br2 O4 -
Comments: Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes. The Journal of organic chemistry 79(14) (2014) 6679-6687
Space group: P 2 21 21
Cell volume: 2457.14
Cell parameters: 6.801; 16.1651; 22.3501; 90; 90; 90;  

COD ID: 4035490
CIF file Formula: - C21 H32 O4 -
Comments: Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid. The Journal of organic chemistry 83(7) (2018) 3547-3561
Space group: P 2 21 21
Cell volume: 3771.61
Cell parameters: 5.97161; 24.9992; 25.2644; 90; 90; 90;  

COD ID: 4036036
CIF file Formula: - C22 H15 N3 -
Comments: Yokoyama, Soichi; Nishiwaki, Nagatoshi Fluorescence Behavior of Bis(cyanostyryl)pyrrole Derivatives Depending on the Substituent Position of Cyano Groups in Solution and in Solid State. The Journal of organic chemistry 84(3) (2019) 1192-1200
Space group: P 2 21 21
Cell volume: 1657.2
Cell parameters: 4.641; 13.2241; 27.002; 90; 90; 90;  

COD ID: 4037094
CIF file Formula: - C20 H15 Br N2 O4 -
Comments: Qiu, Shuai; Lee, Richmond; Zhu, Bo; Coote, Michelle L.; Zhao, Xiaowei; Jiang, Zhiyong Highly Enantio- and Diastereoselective [4 + 2] Cycloaddition of 5H-oxazol-4-ones with N-Maleimides. The Journal of organic chemistry 81(17) (2016) 8061-8069
Space group: P 2 21 21
Cell volume: 3859.7
Cell parameters: 7.8629; 17.9726; 27.3125; 90; 90; 90;  

COD ID: 4085356
CIF file Formula: - C15 H14 F2 N2 O -
Comments: González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J. SelectiveN-Methylation of Aliphatic Amines with CO2and Hydrosilanes Using Nickel-Phosphine Catalysts Organometallics 34(4) (2015) 763
Space group: P 2 21 21
Cell volume: 684.6
Cell parameters: 4.6293; 6.1725; 23.957; 90; 90; 90;  

COD ID: 4101603
CIF file Formula: - C13 H8 I N O2 -
Comments: Rodriguez-Rodriguez, Cristina; Sanchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, Jose; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; Gonzalez-Duarte, Pilar Design, Selection, and Characterization of Thioflavin-Based Intercalation Compounds with Metal Chelating Properties for Application in Alzheimer's Disease JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131(4) (2009) 1436-1451
Space group: P 2 21 21
Cell volume: 2347.4
Cell parameters: 5.8887; 14.6161; 27.273; 90; 90; 90;  

COD ID: 4112400
CIF file Formula: - C13 H17 N O3 -
Comments: Sape S. Kinderman; René de Gelder; Jan H. van Maarseveen; Hans E. Schoemaker; Henk Hiemstra; Floris P. J. T. Rutjes Amidopalladation of Alkoxyallenes Applied in the Synthesis of an Enantiopure 1-Ethylquinolizidine Frog Alkaloid Journal of the American Chemical Society 126 (2004) 4100-4101
Space group: P 2 21 21
Cell volume: 1244.96
Cell parameters: 7.7451; 10.4763; 15.3434; 90; 90; 90;  

COD ID: 4129977
CIF file Formula: - C54.25 H34 Cd2 N13 O15 -
Comments: Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki Selective Formation of Conductive Network by Radical-Induced Oxidation. Journal of the American Chemical Society 138(6) (2016) 1776-1779
Space group: P 2 21 21
Cell volume: 7221.9
Cell parameters: 8.6935; 25.5171; 32.5555; 90; 90; 90;  

COD ID: 4312414
CIF file Formula: - C10 H32 N4 O22 S4 U2 -
Comments: Michael B. Doran; Alexander J. Norquist; Dermot O'Hare Exploration of Composition Space in Templated Uranium Sulfates Inorganic Chemistry 42 (2003) 6989-6995
Space group: P 2 21 21
Cell volume: 1332
Cell parameters: 7.6955; 11.7717; 14.7038; 90; 90; 90;  

COD ID: 4329651
CIF file Formula: - C7 H10 In3 N Se5 -
Comments: Sarah J. Ewing; Anthony V. Powell; Paz Vaqueiro [C7H10N][In3Se5]: A Layered Selenide with Two Indium Coordination Environments Inorganic Chemistry 51 (2012) 7404-7409
Space group: P 2 21 21
Cell volume: 1576.1
Cell parameters: 4.0034; 16.9343; 23.2483; 90; 90; 90;  

COD ID: 4331248
CIF file Formula: - C18 H10 F4 I2 N2 -
Comments: Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline Inorganic Chemistry 51 (2012) 13081-13095
Space group: P 2 21 21
Cell volume: 1791
Cell parameters: 5.84; 8.328; 36.821; 90; 90; 90;  

COD ID: 4332274
CIF file Formula: - C128 H288 N8 Nb20 O54 -
Comments: Maekawa, Masaki; Ozawa, Yoshiki; Yagasaki, Atsushi Icosaniobate: A New Member of the Isoniobate Family Inorganic Chemistry 45(24) (2006) 9608-9609
Space group: P 2 21 21
Cell volume: 20406
Cell parameters: 17.7284; 33.542; 34.316; 90; 90; 90;  

COD ID: 4334764
CIF file Formula: - C40 H40 F42 O17 Zn8 -
Comments: A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry Inorganic Chemistry 52 (2013) 5515-5526
Space group: P 2 21 21
Cell volume: 3398.4
Cell parameters: 13.26; 13.903; 18.434; 90; 90; 90;  

COD ID: 4349907
CIF file Formula: - C31 H30 N4 O13 Zn2 -
Comments: Liu, Xiuping; Hao, Chunlian; Li, Jing; Wang, Yutong; Hou, Yongchun; Li, Xue; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue An anionic metal‒organic framework: metathesis of zinc(ii) with copper(ii) for efficient C3/C2 hydrocarbon and organic dye separation Inorganic Chemistry Frontiers 5(11) (2018) 2898
Space group: P 2 21 21
Cell volume: 4995.8
Cell parameters: 13.495; 13.7761; 26.8721; 90; 90; 90;  

COD ID: 4510469
CIF file Formula: - C12 H13 N O5 -
Comments: Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives Crystal Growth & Design 14(5) (2014) 2578
Space group: P 2 21 21
Cell volume: 1167.6
Cell parameters: 6.019; 7.217; 26.878; 90; 90; 90;  

COD ID: 4514457
CIF file Formula: - C107 H111 Cd4 N17 O41 -
Comments: Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics. ACS applied materials & interfaces 11(22) (2019) 20174-20182
Space group: P 2 21 21
Cell volume: 5626.2
Cell parameters: 14.1619; 16.7951; 23.6544; 90; 90; 90;  

COD ID: 7003758
CIF file Formula: - C62 H93 Cl N4 O Ru -
Comments: Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K. Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3) Dalton Transactions (issue 19) (2008) 2603-2614
Space group: P 2 21 21
Cell volume: 2854.68
Cell parameters: 10.617; 13.005; 20.675; 90; 90; 90;  

COD ID: 7003763
CIF file Formula: - C62 H92 B N4 O Ru -
Comments: Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K. Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3) Dalton Transactions (issue 19) (2008) 2603-2614
Space group: P 2 21 21
Cell volume: 2899.26
Cell parameters: 10.663; 13.047; 20.84; 90; 90; 90;  

COD ID: 7003765
CIF file Formula: - C61 H87 Cl N4 O Ru -
Comments: Chantler, Victoria L.; Chatwin, Sarah L.; Jazzar, Rodolphe F. R.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K. Stoichiometric and catalytic reactivity of the N-heterocyclic carbene ruthenium hydride complexes [Ru(NHC)(L)(CO)HCl] and [Ru(NHC)(L)(CO)H(η2-BH4)] (L = NHC, PPh3) Dalton Transactions (issue 19) (2008) 2603-2614
Space group: P 2 21 21
Cell volume: 2871.46
Cell parameters: 10.627; 13.02; 20.753; 90; 90; 90;  

COD ID: 7010558
CIF file Formula: - C18 H26 Cl2 Mo -
Comments: Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts Journal of the Chemical Society, Dalton Transactions (issue 11) (2001) 1732
Space group: P 2 21 21
Cell volume: 903.5
Cell parameters: 6.751; 10.571; 12.66; 90; 90; 90;  

COD ID: 7010559
CIF file Formula: - C18 H26 Br2 Mo -
Comments: Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts Journal of the Chemical Society, Dalton Transactions (issue 11) (2001) 1732
Space group: P 2 21 21
Cell volume: 928.2
Cell parameters: 7.012; 10.538; 12.562; 90; 90; 90;  

COD ID: 7010763
CIF file Formula: - C44 H80 Mo4 N4 O18 -
Comments: Susana M. O. Quintal; Helena I. S. Nogueira; Helena M. Carapuça; Vitor Félix; Michael G. B. Drew Polynuclear molybdenum and tungsten complexes of 3-hydroxypicolinic acid and the crystal structures of (nBu4N)2[Mo4O12(picOH)2] and (nHex4N)2[Mo2O6(picOH)2] J. Chem. Soc., Dalton Trans. (issue 21) (2001) 3196-3201
Space group: P 2 21 21
Cell volume: 2851
Cell parameters: 8.758; 17.54; 18.56; 90; 90; 90;  

COD ID: 7026142
CIF file Formula: - C9 N3 O11 P3 Y -
Comments: Wharmby, Michael T.; Miller, Stuart R.; Groves, John A.; Margiolaki, Irene; Ashbrook, Sharon E.; Wright, Paul A. Yttrium bisphosphonate STA-13: a racemic phosphonate metal organic framework with permanent microporosity. Dalton transactions (Cambridge, England : 2003) 39(28) (2010) 6389-6391
Space group: P 2 21 21
Cell volume: 1934.03
Cell parameters: 8.67363; 9.78127; 22.7964; 90; 90; 90;  

COD ID: 7043028
CIF file Formula: - C250 H325 Cu8 I8 N39 Ni4 O28 -
Comments: Jiang, Huanfeng; jiawei, Li; Ren, Yanwei; Qi, Chaorong A Chiral Salen-based MOF Catalytic Material with highly thermal, aqueous and chemical stabilities Dalton Trans. (2017)
Space group: P 2 21 21
Cell volume: 24295.8
Cell parameters: 18.42479; 35.8993; 36.7318; 90; 90; 90;  

COD ID: 7050682
CIF file Formula: - C20 H18 B Cu F4 N2 O2 -
Comments: Naskar, Jnan P.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar Chemistry of the copper(I)‒water bond. Some new observations New Journal of Chemistry 26(1) (2002) 170
Space group: P 2 21 21
Cell volume: 2096
Cell parameters: 9.166; 13.014; 17.57; 90; 90; 90;  

COD ID: 7050767
CIF file Formula: - C20 H32 Cl2 F6 N4 O4 P Ru -
Comments: Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar Two simple precursor 2,2'-bisoxazoline complexes of ruthenium New Journal of Chemistry 26(1) (2002) 24
Space group: P 2 21 21
Cell volume: 1436
Cell parameters: 8.545; 12.001; 14.002; 90; 90; 90;  

COD ID: 7054097
CIF file Formula: - C39 H42 N2 O12 -
Comments: Baghel, Garima Singh; Chinta, Jugun Prakash; Rao, Chebrolu P. Synthesis, characterization of the amido-conjugates of 1,1′-methylene-bis(2-naphthol) and recognition of Cu2+ in aqueous acetonitrile New Journal of Chemistry 36(11) (2012) 2397
Space group: P 2 21 21
Cell volume: 1830.5
Cell parameters: 5.2025; 17.5718; 20.0241; 90; 90; 90;  

COD ID: 7102605
CIF file Formula: - C14 H18 Cu0.5 F3 N2 O P0.5 -
Comments: Anthony, S Philip; Radhakrishnan, T P Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination. Chemical communications (Cambridge, England) (issue 9) (2004) 1058-1059
Space group: P 2 21 21
Cell volume: 1566.5
Cell parameters: 9.5577; 10.48; 15.639; 90; 90; 90;  

COD ID: 7103030
CIF file Formula: - C34 H40 Cl Eu F6 N8 O6 S2 -
Comments: Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution. Chemical communications (Cambridge, England) (issue 14) (2008) 1671-1673
Space group: P 2 21 21
Cell volume: 1967.2
Cell parameters: 8.346; 11.116; 21.206; 90; 90; 90;  

COD ID: 7103032
CIF file Formula: - C32 H40 Cl Eu F12 N8 P2 -
Comments: Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution. Chemical communications (Cambridge, England) (issue 14) (2008) 1671-1673
Space group: P 2 21 21
Cell volume: 1825.6
Cell parameters: 7.8902; 11.1217; 20.804; 90; 90; 90;  

COD ID: 7104397
CIF file Formula: - C44 H36 F6 N8 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Van der Lee, Arie; Barboiu, Mihail Constitutional self-sorting of homochiral supramolecular helical single crystals from achiral components. Chemical communications (Cambridge, England) 34(19) (2009) 2667-2669
Space group: P 2 21 21
Cell volume: 2228.37
Cell parameters: 8.2081; 14.5003; 18.7227; 90; 90; 90;  

COD ID: 7104401
CIF file Formula: - C44 H32 F10 N8 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Van der Lee, Arie; Barboiu, Mihail Constitutional self-sorting of homochiral supramolecular helical single crystals from achiral components. Chemical communications (Cambridge, England) 34(19) (2009) 2667-2669
Space group: P 2 21 21
Cell volume: 2310.7
Cell parameters: 8.0917; 14.7056; 19.4187; 90; 90; 90;  

COD ID: 7105837
CIF file Formula: - C68 H88 Co N4 O5.5 -
Comments: Lena Arnold; Hassan Norouzi-Arasi; Manfred Wagner; Volker Enkelmann; Klaus Mullen A Porphyrin-Related Macrocycle from Carbazole and Pyridine Building Blocks: Synthesis and Metal Coordination Chem.Commun. 47 (2011) 970
Space group: P 2 21 21
Cell volume: 5957.7
Cell parameters: 9.1483; 21.8882; 29.7527; 90; 90; 90;  

COD ID: 7105838
CIF file Formula: - C68 H88 N4 O4.5 -
Comments: Lena Arnold; Hassan Norouzi-Arasi; Manfred Wagner; Volker Enkelmann; Klaus Mullen A Porphyrin-Related Macrocycle from Carbazole and Pyridine Building Blocks: Synthesis and Metal Coordination Chem.Commun. 47 (2011) 970
Space group: P 2 21 21
Cell volume: 5905.1
Cell parameters: 8.9009; 22.2751; 29.7836; 90; 90; 90;  

COD ID: 7111824
CIF file Formula: - C58 H82 I2 N4 O Pt -
Comments: Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes Chem.Commun. 50 (2014) 1299
Space group: P 2 21 21
Cell volume: 2863.98
Cell parameters: 10.6105; 13.0106; 20.7461; 90; 90; 90;  

COD ID: 7117074
CIF file Formula: - C21 H45 Cu3 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3540.35
Cell parameters: 8.52016; 31.2866; 13.2813; 90; 90; 90;  

COD ID: 7117075
CIF file Formula: - C18 H42 Cu3 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3560.4
Cell parameters: 8.5342; 31.3102; 13.3245; 90; 90; 90;  

COD ID: 7117076
CIF file Formula: - C21 H45 Cu3.01 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3596.3
Cell parameters: 8.5719; 13.4018; 31.305; 90; 90; 90;  

COD ID: 7117077
CIF file Formula: - C21 H45 Cu3 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3643.3
Cell parameters: 8.6; 31.212; 13.5728; 90; 90; 90;  

COD ID: 7117078
CIF file Formula: - C21 H45 Cu2.99 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3655.7
Cell parameters: 8.6034; 13.5945; 31.256; 90; 90; 90;  

COD ID: 7117079
CIF file Formula: - C21 H45 Cu3.01 I6 N3 -
Comments: Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature Chem.Commun. 51 (2015) 8062
Space group: P 2 21 21
Cell volume: 3683.6
Cell parameters: 8.6312; 13.6767; 31.2048; 90; 90; 90;  

COD ID: 7131727
CIF file Formula: - C6 H14 Br4 F6 N2 Pb -
Comments: Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites. Chemical communications (Cambridge, England) 59(52) (2023) 8111-8114
Space group: P 2 21 21
Cell volume: 1707.03
Cell parameters: 7.9087; 8.9042; 24.2405; 90; 90; 90;  

COD ID: 7152961
CIF file Formula: - C20 H26.5 F3 N3 O5.25 -
Comments: Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean Stereoselective synthesis of original spirolactams displaying promising folded structures. Organic & biomolecular chemistry 11(28) (2013) 4719-4726
Space group: P 2 21 21
Cell volume: 2268.53
Cell parameters: 6.4489; 9.7481; 36.086; 90; 90; 90;  

COD ID: 7153106
CIF file Formula: - C13 H18 N3 O6 -
Comments: Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J. An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones. Organic & biomolecular chemistry 11(40) (2013) 6886-6899
Space group: P 2 21 21
Cell volume: 1527.49
Cell parameters: 6.1713; 12.5187; 19.7716; 90; 90; 90;  

COD ID: 7153734
CIF file Formula: - C31 H35 N O2 -
Comments: Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M. Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins. Organic & biomolecular chemistry 12(17) (2014) 2702-2728
Space group: P 2 21 21
Cell volume: 2726.7
Cell parameters: 10.7026; 15.0868; 16.8872; 90; 90; 90;  

COD ID: 7155878
CIF file Formula: - C23 H24 N2 O2 -
Comments: Pan, Subhas Chandra; Maity, Rajendra Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones Org. Biomol. Chem. (2017)
Space group: P 2 21 21
Cell volume: 1931.8
Cell parameters: 5.7189; 12.5306; 26.957; 90; 90; 90;  

COD ID: 7216932
CIF file Formula: - C25 H18 O2 -
Comments: Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin 4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion Journal of the Chemical Society, Perkin Transactions 2 (issue 7) (2001) 1212
Space group: P 2 21 21
Cell volume: 1806.3
Cell parameters: 9.054; 10.761; 18.539; 90; 90; 90;  

COD ID: 7218476
CIF file Formula: - C22 H23 F8 I3 O2 S -
Comments: Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc Halogen-bonded halide networks from chiral neutral spacers CrystEngComm 17(1) (2015) 50
Space group: P 2 21 21
Cell volume: 2882.42
Cell parameters: 11.5706; 15.5144; 16.0571; 90; 90; 90;  

COD ID: 7231969
CIF file Formula: - C18 H25 O2.5 -
Comments: Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm 21(13) (2019) 2154
Space group: P 2 21 21
Cell volume: 1518.23
Cell parameters: 6.54127; 12.05549; 19.2527; 90; 90; 90;  

COD ID: 7232430
CIF file Formula: - C22 H31 N5 O2 -
Comments: Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V. The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives CrystEngComm 21(14) (2019) 2398
Space group: P 2 21 21
Cell volume: 2115.5
Cell parameters: 5.01883; 16.5007; 25.5451; 90; 90; 90;  

COD ID: 7237019
CIF file Formula: - C18 H16 Br2 Fe N10 -
Comments: Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects Journal of Materials Chemistry C 6(13) (2018) 3352
Space group: P 2 21 21
Cell volume: 2046.1
Cell parameters: 8.8257; 13.4735; 17.207; 90; 90; 90;  

COD ID: 7237351
CIF file Formula: - C18 H32 B10 N2 O4 -
Comments: Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P. Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes Journal of Materials Chemistry C 6(32) (2018) 8638
Space group: P 2 21 21
Cell volume: 2668.9
Cell parameters: 7.376; 11.388; 31.773; 90; 90; 90;  

COD ID: 9004408
CIF file Formula: - Ca1.98 Ce0.49 La0.32 Mn0.16 Na12.72 Nd0.07 O28 P4 Pr0.02 Si4 Th0.09 -
Comments: McDonald, A. M.; Chao, G. Y. Phosinaite-(Ce) from Mont Saint-Hilaire, Quebec: New data and structure refinement Locality: Mont Saint-Hilaire, Quebec, Canada The Canadian Mineralogist 34 (1996) 107-114
Space group: P 2 21 21
Cell volume: 1306.08
Cell parameters: 12.297; 14.66; 7.245; 90; 90; 90;  


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