Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 7150109 | CIF | C5 H11 N O5 S | P -1 | 7.3712; 7.4301; 9.0586 66.362; 87.942; 64.538 | 404.73 | 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 |
| 7150110 | CIF | C52 H40 | C 1 2/c 1 | 17.705; 21.289; 19.354 90; 96.336; 90 | 7250.4 | Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S. Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene. Organic & biomolecular chemistry, 2005, 3, 581-583 |
| 7150111 | CIF | C12 H18 Br6 | P 1 21/n 1 | 15.676; 6.4009; 18.702 90; 112.578; 90 | 1732.7 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150112 | CIF | C12 H18 Br4 | C 1 c 1 | 6.574; 31.53; 7.667 90; 108.03; 90 | 1511.16 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150113 | CIF | C12 H18 Br4 | P 1 21/a 1 | 9.9321; 13.1468; 11.9463 90; 109.373; 90 | 1471.57 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150114 | CIF | C12 H18 Br4 | P 1 21/n 1 | 11.4559; 7.4771; 17.7504 90; 91.342; 90 | 1520 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150115 | CIF | C12 H18 Br2 | P 1 21/a 1 | 7.733; 15.842; 10.62 90; 102.83; 90 | 1268.53 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150116 | CIF | C14 H21 Br6 N | P -1 | 10.2529; 13.9866; 14.4984 75.851; 79.144; 83.639 | 1975.4 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150117 | CIF | C12 H18 Br4 | P b c a | 17.163; 12.517; 14.25 90; 90; 90 | 3061.3 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150118 | CIF | C12 H18 Br6 | P b c a | 11.67; 28.998; 10.483 90; 90; 90 | 3547.5 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
| 7150119 | CIF | C13 H9.43 N3 O | P -1 | 10.057; 13.722; 15.423 72.17; 80.39; 86.9 | 1997.7 | Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one. Organic & biomolecular chemistry, 2005, 3, 996-1001 |
| 7150120 | CIF | C39 H24 O3 | P 63/m | 15.358; 15.358; 20.1237 90; 90; 120 | 4110.6 | Wooi, Goh Yit; White, Jonathan M. Structural manifestations of the cheletropic reaction. Organic & biomolecular chemistry, 2005, 3, 972-974 |
| 7150121 | CIF | C38 H26.5 N1.5 O | C 1 2/c 1 | 20.7668; 10.7728; 25.164 90; 104.376; 90 | 5453.3 | Wooi, Goh Yit; White, Jonathan M. Structural manifestations of the cheletropic reaction. Organic & biomolecular chemistry, 2005, 3, 972-974 |
| 7150122 | CIF | C35 H22 O3 | P -1 | 10.0236; 10.4368; 12.1152 109.755; 103.475; 90.167 | 1155.4 | Wooi, Goh Yit; White, Jonathan M. Structural manifestations of the cheletropic reaction. Organic & biomolecular chemistry, 2005, 3, 972-974 |
| 7150123 | CIF | C18 H30 O6 | P 21 21 21 | 7.0435; 16.1734; 16.3288 90; 90; 90 | 1860.13 | Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C. A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer. Organic & biomolecular chemistry, 2005, 3, 1081-1088 |
| 7150124 | CIF | C16 H26 O6 | P 31 | 18.685; 18.685; 12.2539 90; 90; 120 | 3705.03 | Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C. A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer. Organic & biomolecular chemistry, 2005, 3, 1081-1088 |
| 7150125 | CIF | C46 H38 O6 | P n m a | 17.357; 13.487; 14.83 90; 90; 90 | 3472 | Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar Methoxy-substituted centrohexaindanes through the fenestrane route. Organic & biomolecular chemistry, 2005, 3, 570-571 |
| 7150126 | CIF | C14 H10 O3 | P 1 21/n 1 | 12.543; 7.122; 12.956 90; 102.4; 90 | 1130.4 | Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana Tuning the size of macrocyclic cavities in trianglimine macrocycles. Organic & biomolecular chemistry, 2005, 3, 1911-1921 |
| 7150127 | CIF | C17 H25 B F4 O3 S | P 21 21 21 | 6.7991; 14.3737; 18.467 90; 90; 90 | 1804.75 | Aggarwal, Varinder K.; Hebach, Christina Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications. Organic & biomolecular chemistry, 2005, 3, 1419-1427 |
| 7150128 | CIF | C31 H38 O9 | P 1 | 8.5216; 8.6643; 10.4987 92.857; 96.328; 113.673 | 701.82 | Loeb, Stephen J.; Tramontozzi, David A. Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles. Organic & biomolecular chemistry, 2005, 3, 1393-1401 |
| 7150129 | CIF | C10 H10 N2 O5 | P 1 21 1 | 5.6; 24.29; 7.74 90; 96.24; 90 | 1046.6 | Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones. Organic & biomolecular chemistry, 2005, 3, 967-969 |
| 7150130 | CIF | C13 H13 N3 O2 | P 1 21/c 1 | 9.891; 10.066; 11.732 90; 96.743; 90 | 1160 | Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones. Organic & biomolecular chemistry, 2005, 3, 1134-1139 |
| 7150131 | CIF | C19 H31 N O2 | P -1 | 10.6747; 12.0073; 15.319 101.634; 99.209; 90.717 | 1896.34 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
| 7150132 | CIF | C11 H15 N O2 | P 1 21/c 1 | 14.266; 12.599; 19.587 90; 100.86; 90 | 3457 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
| 7150133 | CIF | C19 H36 N2 O3 | P -1 | 10.0678; 12.211; 9.0829 97.147; 92.285; 109.753 | 1038.7 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
| 7150134 | CIF | C16 H24 N2 O3 | P -1 | 12.233; 13.207; 11.841 105.46; 109.07; 90.81 | 1731.8 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
| 7150135 | CIF | C20 H35 N3 O3 | C m c 21 | 13.2912; 13.0775; 12.1094 90; 90; 90 | 2104.8 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
| 7150136 | CIF | C16 H15 F2 N3 O3 S | P 1 21/c 1 | 10.5772; 17.2951; 9.394 90; 109.781; 90 | 1617.08 | Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B. New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization. Organic & biomolecular chemistry, 2005, 3, 1844-1849 |
| 7150137 | CIF | C16 H12 F3 N3 O2 S | C 1 2/c 1 | 31.208; 5.051; 21.756 90; 110.08; 90 | 3221 | Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B. New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization. Organic & biomolecular chemistry, 2005, 3, 1844-1849 |
| 7150138 | CIF | C16 H13 F2 N3 O2 S | P 1 21/c 1 | 10.614; 7.484; 20.523 90; 96.25; 90 | 1620.6 | Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B. New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization. Organic & biomolecular chemistry, 2005, 3, 1844-1849 |
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