Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7150059 | CIF | C17 H16 O2 | C 1 2/c 1 | 19.3595; 8.8441; 16.7833 90; 115.701; 90 | 2589.3 | Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K. Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus. Organic & biomolecular chemistry, 2005, 3, 756-763 |
| 7150060 | CIF | C17 H14 O3 | P -1 | 9.2508; 9.313; 15.5363 100.325; 90.36; 99.592 | 1297.5 | Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K. Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus. Organic & biomolecular chemistry, 2005, 3, 756-763 |
| 7150061 | CIF | C9 H12 N6 O4 | P 32 2 1 | 9.7754; 9.7754; 20.3627 90; 90; 120 | 1685.1 | Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank 1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine. Organic & biomolecular chemistry, 2005, 3, 1714-1718 |
| 7150062 | CIF | C18 H22 O4 | P 1 21 1 | 10.0036; 27.0011; 12.1811 90; 95.159; 90 | 3276.9 | Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars. Organic & biomolecular chemistry, 2005, 3, 1308-1318 |
| 7150063 | CIF | C22 H18 Br N3 O | P -1 | 9.3969; 10.5034; 10.5516 71.075; 88.902; 81.541 | 973.97 | Sim°unek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone. Organic & biomolecular chemistry, 2005, 3, 1217-1226 |
| 7150064 | CIF | C21.5 H24 N4 O | C 1 2/c 1 | 25.8225; 10.7493; 15.627 90; 117.694; 90 | 3840.74 | Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone. Organic & biomolecular chemistry, 2005, 3, 1217-1226 |
| 7150065 | CIF | C17 H17 N3 O | P 1 21/n 1 | 5.7502; 29.873; 9.1184 90; 101.11; 90 | 1536.97 | Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone. Organic & biomolecular chemistry, 2005, 3, 1217-1226 |
| 7150066 | CIF | C41 H56 Cu N4 O6 | P 21 21 21 | 11.48; 12.8012; 28.1994 90; 90; 90 | 4144.1 | Gottschaldt, Michael; Koth, Daniel; Görls, Helmar Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine. Organic & biomolecular chemistry, 2005, 3, 1170-1171 |
| 7150067 | CIF | C19 H33 N O6 | P 21 21 21 | 5.7388; 9.4909; 38.243 90; 90; 90 | 2082.96 | Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues. Organic & biomolecular chemistry, 2005, 3, 1795-1800 |
| 7150068 | CIF | C17 H31 N O7 | P 1 21 1 | 8.7774; 8.3066; 13.4961 90; 96.211; 90 | 978.23 | Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues. Organic & biomolecular chemistry, 2005, 3, 1795-1800 |
| 7150069 | CIF | C13 H16 S5 | P 1 21 1 | 6.3217; 13.4551; 17.512 90; 93.06; 90 | 1487.43 | Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D. Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene. Organic & biomolecular chemistry, 2005, 3, 2155-2166 |
| 7150070 | CIF | C13 H16 S5 | P 1 21 1 | 7.2322; 9.3635; 11.3961 90; 106.405; 90 | 740.31 | Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D. Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene. Organic & biomolecular chemistry, 2005, 3, 2155-2166 |
| 7150071 | CIF | C13 H16 S5 | P 21 21 21 | 7.609; 9.789; 20.1711 90; 90; 90 | 1502.43 | Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D. Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene. Organic & biomolecular chemistry, 2005, 3, 2155-2166 |
| 7150072 | CIF | C42.26 H53.06 F6 N O12.27 P | C 1 2/c 1 | 14.324; 22.806; 26.47 90; 97.2; 90 | 8579 | Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E. Regioselective routes to disubstituted dibenzo crown ethers and their complexations. Organic & biomolecular chemistry, 2005, 3, 2114-2121 |
| 7150073 | CIF | C28 H36 F6 K O12 P | P -1 | 10.3429; 12.6823; 13.1381 83.774; 72.711; 77.938 | 1607.17 | Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E. Regioselective routes to disubstituted dibenzo crown ethers and their complexations. Organic & biomolecular chemistry, 2005, 3, 2114-2121 |
| 7150074 | CIF | C28 H36 O12 | P 1 21/c 1 | 13.8926; 12.4235; 8.2043 90; 105.243; 90 | 1366.2 | Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E. Regioselective routes to disubstituted dibenzo crown ethers and their complexations. Organic & biomolecular chemistry, 2005, 3, 2114-2121 |
| 7150075 | CIF | C28 H36 F6 K O12 P | C 1 2/c 1 | 16.84; 19.447; 19.41 90; 91.429; 90 | 6354.6 | Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E. Regioselective routes to disubstituted dibenzo crown ethers and their complexations. Organic & biomolecular chemistry, 2005, 3, 2114-2121 |
| 7150076 | CIF | C18 H17 Br O Ti | P -1 | 7.7237; 9.8885; 11.0929 81.444; 70.937; 89.529 | 791.12 | Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media. Organic & biomolecular chemistry, 2005, 3, 1622-1623 |
| 7150077 | CIF | C14 H15 N O4 | P 1 21/n 1 | 6.9505; 28.848; 7.3706 90; 116.961; 90 | 1317.2 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150078 | CIF | C10 H10 N2 O5 S | P 1 21/c 1 | 5.1517; 11.726; 18.705 90; 94.289; 90 | 1126.8 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150079 | CIF | C11 H10 N2 O6 | P n a 21 | 10.162; 21.4665; 5.435 90; 90; 90 | 1185.6 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150080 | CIF | C11 H11 N O4 | P 1 21/c 1 | 11.503; 7.7574; 12.737 90; 111.04; 90 | 1060.8 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150081 | CIF | C10 H11 N O3 | P 1 21/c 1 | 11.1796; 7.2234; 12.745 90; 115.033; 90 | 932.5 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150082 | CIF | C14 H14 N2 O6 | P 1 21/n 1 | 14.0459; 7.8502; 14.279 90; 115.424; 90 | 1422 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150083 | CIF | C13 H14 N2 O5 S | P 1 21/c 1 | 10.3778; 12.0317; 11.3503 90; 104.395; 90 | 1372.73 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150084 | CIF | C10 H9 N3 O7 | P 21 21 21 | 6.1596; 7.902; 24.235 90; 90; 90 | 1179.59 | Fifer, Nathan L.; White, Jonathan M. Determining the sigma-donor ability of the cyclopropane C-C bond. Organic & biomolecular chemistry, 2005, 3, 1776-1780 |
| 7150085 | CIF | C41 H43 N O5 | P 21 21 21 | 5.225; 15.283; 43.03 90; 90; 90 | 3436 | Masson, Géraldine; Philouze, Christian; Py, Sandrine Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine. Organic & biomolecular chemistry, 2005, 3, 2067-2069 |
| 7150086 | CIF | C20 H32 O8 | P 1 21 1 | 11.2674; 19.6076; 12.0348 90; 117.463; 90 | 2359.2 | Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A. Enantiospecific synthesis of (-)-trachyspic acid. Organic & biomolecular chemistry, 2005, 3, 2073-2074 |
| 7150087 | CIF | C50 H82 N30 O31 Pt | P 21 21 21 | 23.6543; 30.2367; 31.2827 90; 90; 90 | 22374.3 | Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug. Organic & biomolecular chemistry, 2005, 3, 2122-2125 |
| 7150088 | CIF | C22 H31 N3 O6 S | P 1 21 1 | 12.723; 5.3119; 17.908 90; 100.305; 90 | 1190.76 | Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry, 2005, 3, 360-365 |
| 7150089 | CIF | C22 H29 N3 O5 S | P 1 21 1 | 11.2302; 5.539; 17.85 90; 95.444; 90 | 1105.33 | Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry, 2005, 3, 360-365 |
| 7150090 | CIF | C6 H13 Cl N2 O | P 21 21 21 | 5.0426; 7.6092; 21.615 90; 90; 90 | 829.37 | Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry, 2005, 3, 360-365 |
| 7150091 | CIF | C16 H17 N O4 S | P 21 21 21 | 5.212; 13.5426; 22.162 90; 90; 90 | 1564.3 | Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki Molecular mechanism of dielectrically controlled optical resolution (DCR). Organic & biomolecular chemistry, 2005, 3, 360-365 |
| 7150092 | CIF | C20 H31 Br K N5 O4 | P 21 21 21 | 10.7; 13.81; 15.55 90; 90; 90 | 2298 | Tönshoff, Christina; Merz, Klaus; Bucher, Götz Azidocryptands-synthesis, structure, and complexation properties. Organic & biomolecular chemistry, 2005, 3, 303-308 |
| 7150093 | CIF | C18 H26 N5 O S2 | P -1 | 8.321; 9.079; 14.321 101.75; 101.706; 103.15 | 995.6 | Tönshoff, Christina; Merz, Klaus; Bucher, Götz Azidocryptands-synthesis, structure, and complexation properties. Organic & biomolecular chemistry, 2005, 3, 303-308 |
| 7150094 | CIF | C20 H31 N5 O4 | P 1 21/n 1 | 9.572; 23.209; 10.117 90; 112.214; 90 | 2080.7 | Tönshoff, Christina; Merz, Klaus; Bucher, Götz Azidocryptands-synthesis, structure, and complexation properties. Organic & biomolecular chemistry, 2005, 3, 303-308 |
| 7150095 | CIF | C18 H27 N5 O3 | P 1 21/n 1 | 8.324; 17.781; 13.033 90; 103.797; 90 | 1873.3 | Tönshoff, Christina; Merz, Klaus; Bucher, Götz Azidocryptands-synthesis, structure, and complexation properties. Organic & biomolecular chemistry, 2005, 3, 303-308 |
| 7150096 | CIF | C36 H56 N10 S6 | P 1 21/n 1 | 12.683; 14.165; 23.626 90; 98.43; 90 | 4199 | Tönshoff, Christina; Merz, Klaus; Bucher, Götz Azidocryptands-synthesis, structure, and complexation properties. Organic & biomolecular chemistry, 2005, 3, 303-308 |
| 7150097 | CIF | C29 H27 O4 P | P 21 21 21 | 10.7399; 12.8444; 17.6182 90; 90; 90 | 2430.4 | Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions. Organic & biomolecular chemistry, 2005, 3, 630-637 |
| 7150098 | CIF | C17 H16 O2 | P c c n | 13.165; 28.102; 7.2735 90; 90; 90 | 2690.9 | Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions. Organic & biomolecular chemistry, 2005, 3, 630-637 |
| 7150099 | CIF | C9 H14 O2 | P 1 21/n 1 | 7.32; 8.396; 13.236 90; 90.07; 90 | 813.5 | Hayes, Christopher J.; Herbert, Nicola M. A.; Harrington-Frost, Nicole M; Pattenden, Gerald alpha,beta-Unsaturated and cyclopropyl acyl radicals, and their ketene alkyl radical equivalents. Ring synthesis and tandem cyclisation reactions. Organic & biomolecular chemistry, 2005, 3, 316-327 |
| 7150100 | CIF | C13 H10 N2 O2 | P 1 21/c 1 | 10.245; 7.16; 15.02 90; 107.943; 90 | 1048.2 | Broussy, Sylvain; Bernardes-Génisson, Vania; Gornitzka, Heinz; Bernadou, Jean; Meunier, Bernard Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct. Organic & biomolecular chemistry, 2005, 3, 666-669 |
| 7150101 | CIF | C25 H39 N3 O6 | P 1 21 1 | 8.889; 11.196; 13.856 90; 92.09; 90 | 1378 | Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study. Organic & biomolecular chemistry, 2005, 3, 661-665 |
| 7150102 | CIF | C76 H123 N9 O20 | C 1 2 1 | 47.011; 13.325; 14.106 90; 95.26; 90 | 8799.1 | Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study. Organic & biomolecular chemistry, 2005, 3, 661-665 |
| 7150103 | CIF | C136 H191 N2 Na7 O69 S8 | P 1 21 1 | 25.9377; 31.857; 26.5255 90; 106.746; 90 | 20988 | Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald Mutual induced fit in cyclodextrin-rocuronium complexes. Organic & biomolecular chemistry, 2005, 3, 1863-1871 |
| 7150104 | CIF | C104 H83 Na8 O63 S8 | I 4 2 2 | 23.135; 23.135; 31.904 90; 90; 90 | 17076 | Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald Mutual induced fit in cyclodextrin-rocuronium complexes. Organic & biomolecular chemistry, 2005, 3, 1863-1871 |
| 7150105 | CIF | C108 H192 N4 O88 | P 1 | 15.44; 15.483; 17.971 112.852; 99.09; 103.334 | 3702.5 | Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene. Organic & biomolecular chemistry, 2005, 3, 584-591 |
| 7150106 | CIF | C108 H205 N6 O91.5 | P 1 21 1 | 15.46; 32.209; 15.512 90; 103.096; 90 | 7523 | Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene. Organic & biomolecular chemistry, 2005, 3, 584-591 |
| 7150107 | CIF | C12 H14 N2 O | P b c a | 9.6984; 16.5958; 25.445 90; 90; 90 | 4095.44 | Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations. Organic & biomolecular chemistry, 2005, 3, 638-644 |
| 7150108 | CIF | C5 H11 N O5 S | P 1 21/n 1 | 7.4175; 8.7683; 12.4464 90; 90.586; 90 | 809.46 | Kenworthy, Martin N.; Taylor, Richard J. K. Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates. Organic & biomolecular chemistry, 2005, 3, 603-611 |
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