Crystallography Open Database
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7204197 | CIF | C9 H11 N O | P 21 21 21 | 6.6312; 7.6519; 16.3025 90; 90; 90 | 827.21 | Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles Journal of the Chemical Society, Perkin Transactions 2, 2002, 404 |
7204212 | CIF | C9 H10 Cl N O | P -1 | 6.411; 7.273; 10.251 99.03; 95.57; 105.59 | 449.79 | Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz Low barrier hydrogen bonds in sterically modified Schiff bases Journal of the Chemical Society, Perkin Transactions 2, 2002, 835 |
7204213 | CIF | C11 H14 Cl N O | P -1 | 6.953; 7.594; 11.013 79.12; 83.75; 76.06 | 553 | Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz Low barrier hydrogen bonds in sterically modified Schiff bases Journal of the Chemical Society, Perkin Transactions 2, 2002, 835 |
7204214 | CIF | C10 H12 Cl N O | P 1 21/n 1 | 4.867; 12.082; 16.367 90; 90.35; 90 | 962.4 | Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz Low barrier hydrogen bonds in sterically modified Schiff bases Journal of the Chemical Society, Perkin Transactions 2, 2002, 835 |
7204215 | CIF | C11 H14 Cl N O | P -1 | 6.984; 7.515; 11.298 75.26; 79.65; 72.89 | 544.5 | Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz Low barrier hydrogen bonds in sterically modified Schiff bases Journal of the Chemical Society, Perkin Transactions 2, 2002, 835 |
7204216 | CIF | C12 H16 Cl N O | P 1 21/n 1 | 12.4205; 7.1853; 25.571 90; 91.056; 90 | 2281.7 | Filarowski, Aleksander; Koll, Aleksander; Glowiak, Tadeusz Low barrier hydrogen bonds in sterically modified Schiff bases Journal of the Chemical Society, Perkin Transactions 2, 2002, 835 |
7204220 | CIF | C23 H31 F6 N4 O7 P | P 1 21/n 1 | 7.543; 25.74; 14.221 90; 102.167; 90 | 2699 | Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum J. Chem. Soc., Perkin Trans. 2, 2002, 141-150 |
7204221 | CIF | C24 H30 N3 O7 | P 1 21/n 1 | 7.211; 23.167; 14.329 90; 97.988; 90 | 2370.5 | Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum J. Chem. Soc., Perkin Trans. 2, 2002, 141-150 |
7204222 | CIF | C23 H30 N4 O7 | P 1 21/c 1 | 14.161; 7.521; 22.967 90; 105.703; 90 | 2354.8 | Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum J. Chem. Soc., Perkin Trans. 2, 2002, 141-150 |
7204236 | CIF | C23 H26 Cl N3 O | P 1 21/c 1 | 9.75; 12.881; 16.715 90; 95.7; 90 | 2089 | Atkinson, Robert S.; Fawcett, John; Lochrie, Ian S. T.; Ulukanli, Sabri; Claxton, Thomas A. Aziridination of β-substituted styrene derivatives with 3-acetoxyaminoquinazolin-4(3H)-ones: probing transition state geometry from changes in diastereoselectivity Journal of the Chemical Society, Perkin Transactions 2, 2002, 819 |
7204239 | CIF | C57 H60 B3 Fe3 N3 O3 | P -1 | 10.6303; 15.1238; 15.7 81.784; 72.121; 81.651 | 2363.7 | Jens Chr. Norrild; Inger Søtofte Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors J. Chem. Soc., Perkin Trans. 2, 2002, 303-311 |
7204240 | CIF | C27 H36 B3 N3 O3 | P 21 21 21 | 8.9765; 14.6975; 19.6627 90; 90; 90 | 2594.14 | Jens Chr. Norrild; Inger Søtofte Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors J. Chem. Soc., Perkin Trans. 2, 2002, 303-311 |
7204241 | CIF | C14 H22 B N O2 | P 1 21/c 1 | 9.0771; 12.103; 12.8969 90; 103.667; 90 | 1376.74 | Jens Chr. Norrild; Inger Søtofte Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors J. Chem. Soc., Perkin Trans. 2, 2002, 303-311 |
7204244 | CIF | C14 H18 O2 S | P b c a | 11.296; 22.296; 10.547 90; 90; 90 | 2656.3 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
7204245 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.719; 19.14; 11.106 90; 102.55; 90 | 2639 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
7204246 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.774; 9.135; 11.388 90; 104.79; 90 | 1284.8 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
7204262 | CIF | C54 H42 N8 O4 Si | R -3 :H | 36.327; 36.327; 8.841 90; 90; 120 | 10104 | Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters J. Chem. Soc., Perkin Trans. 2, 2002, 59-66 |
7204263 | CIF | C44 H26 N8 O4 S2 Si | P 1 21/c 1 | 10.078; 22.591; 8.243 90; 101.59; 90 | 1838.4 | Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters J. Chem. Soc., Perkin Trans. 2, 2002, 59-66 |
7204264 | CIF | C54 H42 N8 O8 Si | P -1 | 9.73; 10.118; 13.58 69.94; 88.48; 61.66 | 1090.2 | Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters J. Chem. Soc., Perkin Trans. 2, 2002, 59-66 |
7204274 | CIF | C27 H23 O P | P b c a | 17.5193; 13.2112; 17.8502 90; 90; 90 | 4131.4 | Naya, Shin-ichi; Nitta, Makoto Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes Journal of the Chemical Society, Perkin Transactions 2, 2002, 1017 |
7204275 | CIF | C26 H21 O P | P b c a | 17.54; 17.5; 13.35 90; 90; 90 | 4097.78 | Naya, Shin-ichi; Nitta, Makoto Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes Journal of the Chemical Society, Perkin Transactions 2, 2002, 1017 |
7204276 | CIF | C9 H8 N2 | R 3 c :H | 20.627; 20.627; 9.766 90; 90; 120 | 3598.5 | Claramunt, Rosa M.; Santa María, María Dolores; Infantes, Lourdes; Cano, Félix H.; Elguero, José The annular tautomerism of 4(5)-phenylimidazole Journal of the Chemical Society, Perkin Transactions 2, 2002, 564 |
7204284 | CIF | C63 H78 Cl2 O4 Se2 | C 1 2/c 1 | 21.4021; 12.7375; 21.3752 90; 90.207; 90 | 5827 | Zeng, Xianshun; Leng, Xuebing; Chen, Langxing; Sun, Hao; Xu, Fengbo; Li, Qingshan; He, Xiwen; Zhang, Zheng-Zhi Novel bis(phenylselenoalkoxy)calix[4]arene molecular tweezer receptors as sensors for ion-selective electrodes Journal of the Chemical Society, Perkin Transactions 2, 2002, 796 |
7204285 | CIF | C20 H16 Cl2 O2 | P 1 21/c 1 | 9.5229; 17.2091; 10.3702 90; 95.096; 90 | 1692.76 | Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 545 |
7204286 | CIF | C20 H16 Cl2 O2 | C 1 c 1 | 9.8062; 22.3707; 8.49 90; 115.914; 90 | 1675.2 | Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 545 |
7204287 | CIF | C20 H16 Cl2 O2 | P 1 21/c 1 | 12.3267; 12.841; 11.7222 90; 111.53; 90 | 1726.01 | Rashidi-Ranjbar, Parviz; Kianmehr, Ebrahim; Wang, Sue-Lein; Liao, Fen-Ling The stereochemistry of the stable conformational diastereomers in substituted dihydrodibenzo[ef,kl]heptalenes, the doubly bridged biphenyls. Synthesis, structural elucidation and barrier to conformational diastereomerismElectronic supplementary information (ESI) available: Tables I‒III comparing X-ray structural data for 2Aendo‒exo, 1Aendo‒exo and 1Aexo‒exo with AM1 calculations. See http://www.rsc.org/suppdata/p2/b1/b109336n/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 545 |
7204296 | CIF | C17 H30 O3 S | P 1 21/c 1 | 12.367; 11.139; 14.127 90; 112.72; 90 | 1795.1 | Lomas, John S.; Adenier, Alain; Gao, Kun; Maurel, François; Vaissermann, Jacqueline Hydrogen bonding and steric effects on rotamerization in 3,4-alkylenedioxy-, 3-alkoxy- and 3,4-dialkoxy-2-thienyldi(tert-butyl)methanols: an NMR, IR and X-ray crystallographic studyElectronic supplementary information (ESI) available: NMR data; activation parameters for rotation; MMFF94 steric energies and alkoxy group geometries; thermodynamic data; quantum mechanical calculations of geometries; bond lengths, bond angles and torsion angles of 8A-Et; NMR and IR data on new compounds. See http://www.rsc.org/suppdata/p2/b1/b109612p/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 216 |
7204323 | CIF | C21 H25 N3 O4 S | P 1 21/c 1 | 5.894; 37.138; 9.73 90; 91.827; 90 | 2128.7 | Wouters, Johan; Luque, F. Javier; Barretta, Gloria Uccello; Balzano, Federica; Pignatello, Rosario; Guccione, Salvatore Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones Journal of the Chemical Society, Perkin Transactions 2, 2002, 1012 |
7204324 | CIF | C18 H16 N3 O3 S | P -1 | 6.261; 8.48; 16.433 86.75; 82.94; 81.98 | 856.7 | Wouters, Johan; Luque, F. Javier; Barretta, Gloria Uccello; Balzano, Federica; Pignatello, Rosario; Guccione, Salvatore Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones Journal of the Chemical Society, Perkin Transactions 2, 2002, 1012 |
7204325 | CIF | C20 H24 N2 | P 1 21/c 1 | 11.039; 7.791; 19.001 90; 104.31; 90 | 1583.5 | Elliott, Mark C.; Williams, Eve; Howard, Siân T. Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton sponge Journal of the Chemical Society, Perkin Transactions 2, 2002, 201-203 |
7204345 | CIF | C103.6 H218.6 O92.5 | P 1 | 15.475; 15.466; 15.72 101.86; 101.91; 103.77 | 3445 | Yannakopoulou, Konstantina; Ripmeester, John A.; Mavridis, Irene M. Release of the Prays oleae pheromone as a consequence of supramolecular structure: study of the ??-cyclodextrin-(Z)-tetradec-7-en-1-al complex by X-ray crystallography and NMR spectroscopy in the solid state and in solution Journal of the Chemical Society, Perkin Transactions 2, 2002, 1639 |
7204353 | CIF | C14 H16 N4 | P n m a | 8.1751; 12.6839; 11.4135 89; 89; 90 | 1183.13 | Satou, Teizi; Shinmyozu, Teruo Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 393 |
7204354 | CIF | C28 H28 N4 O4 S2 | P 21 21 21 | 20.487; 20.6726; 6.1558 90; 90; 90 | 2607.1 | Satou, Teizi; Shinmyozu, Teruo Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 393 |
7204359 | CIF | C13 H10 O | P b c a | 6.0319; 10.305; 30.361 90; 90; 90 | 1887.2 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204360 | CIF | C31 H24 O Si | P -1 | 11.41; 13.761; 16.352 93.97; 98.58; 106.71 | 2414.43 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204361 | CIF | C15 H12 O2 | P b c a | 8.1848; 13.7072; 20.2962 90; 90; 90 | 2277.04 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204362 | CIF | C15 H12 O3 | P 1 21 1 | 7.5576; 7.5977; 10.969 90; 109.847; 90 | 592.43 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204363 | CIF | C20 H15 N O2 | P 1 21/c 1 | 14.061; 5.001; 44.011 90; 91.99; 90 | 3093 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204364 | CIF | C14 H9 N O | P 1 21/c 1 | 3.9353; 11.2675; 23.736 90; 93.519; 90 | 1050.49 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204365 | CIF | C32 H27 N Si | P -1 | 8.2787; 9.0356; 18.6385 80.0224; 80.9641; 65.704 | 1245.79 | Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D. Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems Journal of the Chemical Society, Perkin Transactions 2, 2002, 878 |
7204366 | CIF | C8 H17.5 I0.5 N3 O | C 1 2 1 | 20.51; 7.34; 8.17 90; 111.81; 90 | 1142 | Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds J. Chem. Soc., Perkin Trans. 2, 2002, 1956-1959 |
7204367 | CIF | C8 H17.5 Br0.5 N3 O | C 1 2 1 | 19.323; 7.145; 8.566 90; 112.19; 90 | 1095.1 | Nicolás Yutronic; Juan Merchán; Guillermo González; María Teresa Garland Protonated bis(quinuclidine) included in layered bis(urea)‒bromide and -iodide hosts: new ternary urea inclusion compounds J. Chem. Soc., Perkin Trans. 2, 2002, 1956-1959 |
7204368 | CIF | C14 H10 Br2 O4 | C 1 2/c 1 | 21.383; 5.411; 23.737 90; 96.9; 90 | 2726.6 | Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes J. Chem. Soc., Perkin Trans. 2, 2002, 1510-1519 |
7204369 | CIF | C32 H36 O4 | C 1 2/c 1 | 22.097; 11.505; 34.188 90; 102.19; 90 | 8495.5 | Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes J. Chem. Soc., Perkin Trans. 2, 2002, 1510-1519 |
7204370 | CIF | C38 H48 O4 | P n a 21 | 16.808; 22.023; 9 90; 90; 90 | 3331.5 | Carl Thirsk; Geoffrey E. Hawkes; Romano T. Kroemer; Klaus R. Liedl; Thomas Loerting; Rima Nasser; Robin G. Pritchard; Melanie Steele; John E. Warren; Andrew Whiting The structure, modelling and dynamics of 2,7-diisopropoxy-1,8-diarylnaphthalenes J. Chem. Soc., Perkin Trans. 2, 2002, 1510-1519 |
7204376 | CIF | C47 H35 N O4 | P 1 21/n 1 | 10.843; 13.916; 23.573 90; 91.144; 90 | 3556.2 | Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests Journal of the Chemical Society, Perkin Transactions 2, 2002, 1611-1619 |
7204377 | CIF | C40 H27 N O3 | P -1 | 11.667; 14.264; 9.053 90.09; 100.01; 77.15 | 1445.4 | Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests Journal of the Chemical Society, Perkin Transactions 2, 2002, 1611-1619 |
7204378 | CIF | C48 H37 N O3 | P -1 | 11.385; 16.895; 10.483 101.11; 114.33; 95.93 | 1764.8 | Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests Journal of the Chemical Society, Perkin Transactions 2, 2002, 1611-1619 |
7204379 | CIF | C48 H37 N O3 | P 1 21/n 1 | 14.802; 14.302; 16.739 90; 94.052; 90 | 3534.8 | Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests Journal of the Chemical Society, Perkin Transactions 2, 2002, 1611-1619 |
7204399 | CIF | C14 H16 Cl6 N O Sb | P n m a | 11.215; 15.911; 11.501 90; 90; 90 | 2052.3 | Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K. Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure Journal of the Chemical Society, Perkin Transactions 2, 2002, 1468 |
7204400 | CIF | C16 H20 Cl6 N O Sb | P 1 21/c 1 | 11.666; 16.482; 23.254 90; 91.369; 90 | 4470 | Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K. Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure Journal of the Chemical Society, Perkin Transactions 2, 2002, 1468 |
7204401 | CIF | C18 H24 Cl6 N O Sb | C 1 m 1 | 12.502; 10.516; 9.852 90; 109.46; 90 | 1221.3 | Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K. Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure Journal of the Chemical Society, Perkin Transactions 2, 2002, 1468 |
7204421 | CIF | C37 H47 Cl N2 O7 | P 1 21/n 1 | 16.012; 12.401; 19.494 90; 111.98; 90 | 3589.5 | Oliva, Ana I.; Simón, Luis; Hernández, José V.; Muñiz, Francisco M.; Lithgow, Anna; Jiménez, Alicia; Morán, Joaquín R. Enantioselective recognition of α-amino acid derivatives with a cis-tetrahydrobenzoxanthene receptorElectronic supplementary information (ESI) available: binding data. See http://www.rsc.org/suppdata/p2/b2/b203054c/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 1050 |
7204423 | CIF | C16 H22 N2 O5 | P 1 21 1 | 5.092; 28.9279; 5.7024 90; 90.021; 90 | 839.97 | Kundu, Sandip Kumar; Mazumdar, Pooja Anjali; Das, Amit Kumar; Bertolasi, Valerio; Pramanik, Animesh Parallel ??-sheet assemblage in a model dipeptide: an X-ray diffraction study Journal of the Chemical Society, Perkin Transactions 2, 2002, 1602 |
7204424 | CIF | C22 H24 | P 1 21/n 1 | 10.726; 7.282; 10.756 90; 106.29; 90 | 806.39 | Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties J. Chem. Soc., Perkin Trans. 2, 2002, 1760-1771 |
7204425 | CIF | C16 H12 | P 1 21/c 1 | 12.259; 5.283; 8.856 90; 101.07; 90 | 562.88 | Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties J. Chem. Soc., Perkin Trans. 2, 2002, 1760-1771 |
7204426 | CIF | C22 H24 O2 | C 1 2/c 1 | 26.192; 9.483; 6.913 90; 101.3; 90 | 1683.8 | Michael Oelgemöller; Bernhard Brem; Rudolf Frank; Siegfried Schneider; Dieter Lenoir; Norbert Hertkorn; Yumi Origane; Peter Lemmen; Johann Lex; Yoshihisa Inoue Cyclic trans-stilbenes: synthesis, structural and spectroscopic characterization, photophysical and photochemical properties J. Chem. Soc., Perkin Trans. 2, 2002, 1760-1771 |
7204431 | CIF | C21 H26 Fe N2 O2 | P 1 21/n 1 | 13.54; 16.289; 17.898 90; 101.35; 90 | 3870.3 | Laus, Gerhard; Schottenberger, Herwig; Schuler, Norbert; Wurst, Klaus; Herber, Rolfe H. A novel solvatochromic 2-nitroacrylonitrile derived from octamethylferrocenecarbaldehyde Journal of the Chemical Society, Perkin Transactions 2, 2002, 1445 |
7204434 | CIF | C18 H26 F2 O2 S2 Si2 | C 1 2/c 1 | 15.537; 16.739; 10.481 90; 126.46; 90 | 2192.3 | Albertin, Luca; Bertarelli, Chiara; Gallazzi, Maria C.; Meille, Stefano V.; Capelli, Silvia C. Synthesis and characterisation of 1,2-difluoro-1,2-bis(5-trimethylsilyl-2-thienyl)ethenes. A new family of conjugated monomers for oxidative polymerisation Journal of the Chemical Society, Perkin Transactions 2, 2002, 1752 |
7204440 | CIF | C28 H25 N O2 | P -1 | 8.907; 8.956; 13.887 98.682; 98.451; 94.255 | 1077.9 | Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation Journal of the Chemical Society, Perkin Transactions 2, 2002, 1246 |
7204441 | CIF | C36 H36 N2 O2 | C 1 2/c 1 | 26.066; 10.068; 11.868 90; 109.11; 90 | 2942.9 | Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation Journal of the Chemical Society, Perkin Transactions 2, 2002, 1246 |
7204442 | CIF | C44 H47 N3 O2 | P b c a | 22.634; 10.464; 30.689 90; 90; 90 | 7268.4 | Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation Journal of the Chemical Society, Perkin Transactions 2, 2002, 1246 |
7204443 | CIF | C14 H14 N2 | P 63/m | 13.178; 13.178; 11.091 90; 90; 120 | 1668 | Holzapfel, Marco; Lambert, Christoph; Selinka, Carola; Stalke, Dietmar Organic mixed valence compounds with N,N-dihydrodimethylphenazine redox centres Journal of the Chemical Society, Perkin Transactions 2, 2002, 1553 |
7204446 | CIF | C38 H22 Br2 O2 | P 1 21/c 1 | 12.462; 15.613; 15.042 90; 111.351; 90 | 2726 | Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene] Journal of the Chemical Society, Perkin Transactions 2, 2002, 1937 |
7204447 | CIF | C40 H28 O2 | P 1 21/n 1 | 10.059; 14.309; 19.109 90; 97.049; 90 | 2730 | Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene] Journal of the Chemical Society, Perkin Transactions 2, 2002, 1937 |
7204448 | CIF | C46 H40 Br2 O6 | C 1 2 1 | 21.614; 9.8916; 9.674 90; 113.459; 90 | 1897.3 | Suzuki, Takanori; Yamamoto, Rie; Higuchi, Hiroki; Hirota, Erika; Ohkita, Masakazu; Tsuji, Takashi Electrochiroptical response of a hexaarylethane derivative with a helical ??-skeleton: drastic UV???Vis and CD spectral changes upon electrolysis of 4???,5???-dibromodispiro[xanthene-9,9???(9???H,10???H)-phenanthrene-10???,9???-xanthene] Journal of the Chemical Society, Perkin Transactions 2, 2002, 1937 |
7204462 | CIF | C29 H20 Br2 Se | P 1 21/n 1 | 12.047; 12.814; 16.307 90; 105.51; 90 | 2425.6 | Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study J. Chem. Soc., Perkin Trans. 2, 2002, 1909-1916 |
7204463 | CIF | C29 H22 Se | P n a 21 | 18.117; 7.088; 34.009 90; 90; 90 | 4367.2 | Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study J. Chem. Soc., Perkin Trans. 2, 2002, 1909-1916 |
7204464 | CIF | C29 H20 Se | P 1 21/c 1 | 10.862; 14.597; 27.479 90; 90.83; 90 | 4356.4 | Jiří Kroulík; Jan Čejka; Stanislav Böhm; Pavel Šebek; Stanislav Nešpůrek; Igor Koshets; Petr Sedmera; Petr Halada; Vladimír Havlíček; Bohumil Kratochvíl; Josef Kuthan Substituted 2,4,4,6-tetraphenyl-4H-selenopyrans: preparation, photocolouration and 4H-selenopyran ring geometry; an X-ray and DFT calculation study J. Chem. Soc., Perkin Trans. 2, 2002, 1909-1916 |
7204469 | CIF | C10 H10 O3 | P 1 21/a 1 | 7.171; 17.69; 8.092 90; 117.774; 90 | 908 | Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy J. Chem. Soc., Perkin Trans. 2, 2002, 1533-1537 |
7204470 | CIF | C10 H10 O3 | P 1 21/n 1 | 8.655; 4.919; 21.97 90; 97.86; 90 | 927 | Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy J. Chem. Soc., Perkin Trans. 2, 2002, 1533-1537 |
7204490 | CIF | C15 H9 Br F N O | R -3 :H | 19.117; 19.117; 18.364 90; 90; 120 | 5812 | Mphahlele, Malose J.; Fernandes, Manuel A.; El-Nahas, Ahmed M.; Ottosson, Henrik; Ndlovu, Stephen M.; Sithole, Happy M.; Dladla, Bongumusa S.; De Waal, Danita Solution phase, solid state and computational structural studies of the 2-aryl-3-bromoquinolin-4(1H)-one derivatives1 Journal of the Chemical Society, Perkin Transactions 2, 2002, 2159 |
7204494 | CIF | C170.25 H216.75 Cl4 F6 N17 O16 P | P 1 21/n 1 | 19.685; 35.565; 23.159 90; 92.553; 90 | 16197 | Iris Thondorf; Frank Broda; Kari Rissanen; Myroslav Vysotsky; Volker Böhmer Dimeric capsules of tetraurea calix[4]arenes. MD simulations and X-ray structure, a comparison J. Chem. Soc., Perkin Trans. 2, 2002, 1796-1800 |
7204500 | CIF | C23 H27 F4 N O4 | P 1 21 1 | 7.309; 12.0081; 13.0629 90; 90.441; 90 | 1146.46 | Hana Navrátilová; René de Gelder; Zdeněk Kříž Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid J. Chem. Soc., Perkin Trans. 2, 2002, 2093-2099 |
7204501 | CIF | C23 H27 F4 N O4 | P 1 21 1 | 8.9615; 8.97716; 14.7286 90; 101.862; 90 | 1159.6 | Hana Navrátilová; René de Gelder; Zdeněk Kříž Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid J. Chem. Soc., Perkin Trans. 2, 2002, 2093-2099 |
7204511 | CIF | C11 H7 Cl2 N O3 | P n a 21 | 14.787; 22.7233; 14.1751 90; 90; 90 | 4762.97 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
7204512 | CIF | C11 H7 Cl2 N O3 | P 1 21/a 1 | 10.4382; 10.2875; 11.4036 90; 109.859; 90 | 1151.73 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
7204513 | CIF | C6 H7 N O3 | P 1 21/c 1 | 7.8027; 11.2422; 8.4806 90; 111.428; 90 | 692.49 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
7204514 | CIF | C6 H7 N O3 | P 1 21/m 1 | 5.8086; 6.3238; 8.8391 90; 92.435; 90 | 324.39 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
7204908 | CIF | C10 H18 O7 | P 1 21 1 | 5.767; 7.971; 13.462 90; 91.47; 90 | 618.63 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204909 | CIF | C12 H22 O7 | P 1 21 1 | 5.77; 7.973; 15.451 90; 93.69; 90 | 709.34 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204910 | CIF | C14 H26 O7 | P 1 21 1 | 5.775; 7.946; 17.883 90; 97.15; 90 | 814.24 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204911 | CIF | C16 H30 O7 | P 1 21 1 | 5.768; 7.903; 20.114 90; 96.63; 90 | 910.8 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204912 | CIF | C18 H34 O7 | P 1 21 1 | 5.778; 7.903; 22.326 90; 92.83; 90 | 1018.2 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204913 | CIF | C10 H18 O7 | P 1 21 1 | 7.932; 7.101; 10.984 90; 101.11; 90 | 607.08 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204914 | CIF | C14 H26 O7 | P 1 21 1 | 7.906; 7.459; 14.218 90; 102.63; 90 | 818.16 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204915 | CIF | C16 H30 O7 | P 1 21 1 | 7.922; 7.45; 15.815 90; 100.01; 90 | 919.18 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204916 | CIF | C18 H34 O7 | P 1 21 1 | 7.923; 7.437; 17.217 90; 92.626; 90 | 1013.4 | Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki Crystal structures of glycolipids with odd and even numbered alkyl chains Journal of the Chemical Society, Perkin Transactions 2, 2000, 341 |
7204944 | CIF | C12 H17 O2 P Se2 | P b c a | 9.27; 16.083; 19.858 90; 90; 90 | 2960.6 | Conformations of 1,3,6,2-dioxaselenaphosphocanes Journal of the Chemical Society, Perkin Transactions 2, 2001, 2374 |
7204949 | CIF | C35 H28 O3 | P -1 | 8.6441; 12.3085; 13.7443 109.514; 94.46; 104.182 | 1315.79 | Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin Guest exchange and competition in inclusion compounds Journal of the Chemical Society, Perkin Transactions 2, 2001, 861 |
7204950 | CIF | C34 H28 O3 S | P -1 | 8.5651; 12.4402; 13.8939 109.148; 93.849; 104.62 | 1334.91 | Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin Guest exchange and competition in inclusion compounds Journal of the Chemical Society, Perkin Transactions 2, 2001, 861 |
7204951 | CIF | C34.42 H28 O3 S0.58 | P -1 | 8.5652; 12.4265; 13.8868 109.155; 93.853; 104.601 | 1332.83 | Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin Guest exchange and competition in inclusion compounds Journal of the Chemical Society, Perkin Transactions 2, 2001, 861 |
7204952 | CIF | C38 H38 O4 | P -1 | 8.348; 9.227; 10.369 96.095; 96.159; 106.679 | 752.77 | Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin Guest exchange and competition in inclusion compounds Journal of the Chemical Society, Perkin Transactions 2, 2001, 861 |
7204984 | CIF | C16 H20 N2 | P 1 21/c 1 | 15.183; 8.656; 11.822 90; 111.94; 90 | 1441.2 | Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A. Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges Journal of the Chemical Society, Perkin Transactions 2, 2002, 318 |
7204985 | CIF | C16 H18 N2 | P 1 21/n 1 | 9.0694; 12.1428; 12.0763 90; 99.313; 90 | 1312.4 | Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A. Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges Journal of the Chemical Society, Perkin Transactions 2, 2002, 318 |
7204986 | CIF | C16 H21 Br N2 | C 1 2/c 1 | 19.0454; 14.6856; 11.0912 90; 101.788; 90 | 3036.7 | Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A. Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges Journal of the Chemical Society, Perkin Transactions 2, 2002, 318 |
7204987 | CIF | C18 H22 Br N3 | C 1 2/c 1 | 28.4; 11.7675; 10.6404 90; 94.721; 90 | 3543.9 | Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A. Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges Journal of the Chemical Society, Perkin Transactions 2, 2002, 318 |
7204988 | CIF | C30 H32 O6 | C 1 c 1 | 20.531; 7.434; 16.899 90; 105.34; 90 | 2487.4 | Zhang, Wei; Shao, Xiangfeng; Yang, Li; Liu, Zhong-Li; Chow, Yuan L. Photochemical reactions of diazodihydronaphthalenonesThese compounds are often referred to as naphthoquinone diazides in the literature. in cyclic ethers Journal of the Chemical Society, Perkin Transactions 2, 2002, 1029 |
7204993 | CIF | C20 H32 S2 Si4 | P 1 21/n 1 | 7.3483; 12.1868; 15.0313 90; 98.228; 90 | 1332.23 | Cyclic thiatetraynes: syntheses and structural properties Journal of the Chemical Society, Perkin Transactions 2, 2002, 72 |
7204994 | CIF | C16 H16 S2 | P b c a | 9.846; 9.03; 16.153 90; 90; 90 | 1436.2 | Cyclic thiatetraynes: syntheses and structural properties Journal of the Chemical Society, Perkin Transactions 2, 2002, 72 |
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