Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100451 | CIF | C85 H73 B Cl3 F4 P4 Rh | P 1 21/c 1 | 18.666; 19.977; 21.253 90; 107.96; 90 | 7538.87 | Breit, Bernhard; Winde, Roland; Harms, Klaus Phosphabenzene‒rhodium catalysts for the efficient hydroformylation of terminal and internal olefins Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1997, 2681-2682 |
| 1100503 | CIF | C27 H25 N O2 | P 1 | 8.766; 9.673; 12.647 81.71; 82.07; 78.91 | 1034.63 | Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1999, 2353-2365 |
| 1100582 | CIF | C26 H34 N2 O7 | I 1 2 1 | 11.444; 6.006; 18.591 90; 91.674; 90 | 1277.26 | Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1998, 3717-3724 |
| 1100583 | CIF | C10 H16 N2 O4 | P 21 21 21 | 5.968; 8.448; 21.719 90; 90; 90 | 1095.02 | Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1998, 3717-3724 |
| 7203887 | CIF | C37 H30 N2 O5 | C 1 2/c 1 | 35.636; 9.226; 17.779 90; 92.64; 90 | 5839.1 | Kumar, Subodh; Paul, Dharam; Hundal, Geeta; Hundal, Maninder Singh; Singh, Harjit Heterocalixarenes Part 3: Bis-oxo-bridged calix[1]cyclicurea[3]arene and calix[1]cyclicurea[1]pyridine[2]arenes. Synthesis, X-ray crystal structure and conformational analysis 1 Journal of the Chemical Society, Perkin Transactions 1, 2000, 1037 |
| 7203888 | CIF | C7 H11 N5 O8 | P b c a | 12.331; 13.205; 14.693 90; 90; 90 | 2392.5 | Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen Synthesis of haptens and their protein conjugates for immunological determination of nitrate esters and nitramines Journal of the Chemical Society, Perkin Transactions 1, 2000, 225 |
| 7203889 | CIF | C4 H7 N5 O6 | P 1 21/c 1 | 12.339; 6.574; 11.163 90; 109.86; 90 | 851.7 | Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen Synthesis of haptens and their protein conjugates for immunological determination of nitrate esters and nitramines Journal of the Chemical Society, Perkin Transactions 1, 2000, 225 |
| 7203916 | CIF | C23 H20 N4 O2 | P 1 21 1 | 5.1195; 9.171; 21.063 90; 92.94; 90 | 987.6 | Darkins, Paul; Groarke, Michelle; McKervey, M. Anthony; Moncrieff, Hazel M.; McCarthy, Noreen; Nieuwenhuyzen, Mark Enantiopure N-protected α-amino glyoxals 1. Synthesis from α-amino acids and some condensation reactions with amines Journal of the Chemical Society, Perkin Transactions 1, 2000, 381 |
| 7203917 | CIF | C14 H11 N O | P 1 21/n 1 | 10.496; 11.407; 18.715 90; 91.53; 90 | 2239.9 | Tandel, Sagun; Zhang, Hongming; Qadri, Nabil; Ford, George P.; Biehl, Edward R. The synthesis of 2-arylmethyl-6-hydroxybenzenecarbonitriles from the base-mediated aryne reaction of bromophenols with arylacetonitriles Journal of the Chemical Society, Perkin Transactions 1, 2000, 587 |
| 7203930 | CIF | ? | P -1 | 8.2243; 10.4546; 14.535 80.443; 84.476; 70.578 | 1161.1 | Bamford, Samantha J.; Goubitz, Kees; van Lingen, Hester L.; Luker, Tim; Schenk, Henk; Hiemstra, Henk Formation of medium-size bridged ring systems via ring-closing metathesis of 2,5-disubstituted-2,3-dihydro-1H-pyrroles Journal of the Chemical Society, Perkin Transactions 1, 2000, 345 |
| 7203931 | CIF | C12 H18 Cl N O6 | P 21 21 21 | 6.7596; 8.7092; 26.1866 90; 90; 90 | 1541.6 | Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H. α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine Journal of the Chemical Society, Perkin Transactions 1, 2000, 329 |
| 7203932 | CIF | C24 H30 Cl N O5 Si | P 21 21 21 | 9.92; 10.103; 25.963 90; 90; 90 | 2602.1 | Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H. α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine Journal of the Chemical Society, Perkin Transactions 1, 2000, 329 |
| 7203933 | CIF | C29 H36 Cl N O5 Si | P 21 21 21 | 10.005; 12.53; 23.255 90; 90; 90 | 2915.3 | Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H. α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine Journal of the Chemical Society, Perkin Transactions 1, 2000, 329 |
| 7203935 | CIF | C25 H31 F O6 | P 1 21 1 | 6.1029; 13.105; 14.153 90; 94.418; 90 | 1128.6 | Keith Biggadike; Sean M. Lynn; Panayiotis A. Procopiou; Rupert E. Shaw; Christopher Williamson Novel glucocorticoid antedrugs possessing a C16,17-fused γ-lactone ring J. Chem. Soc., Perkin Trans. 1, 2000, 813-818 |
| 7203936 | CIF | C29 H42 O6 | P 21 21 21 | 10.032; 10.9; 24.779 90; 90; 90 | 2709.6 | Bode, Helge B.; Zeeck, Axel Structure and biosynthesis of kendomycin, a carbocyclic ansa-compound from Streptomyces Journal of the Chemical Society, Perkin Transactions 1, 2000, 323 |
| 7203937 | CIF | C12 H14 O3 S2 | P 1 21/n 1 | 6.2928; 19.505; 10.367 90; 96.581; 90 | 1264.1 | Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M. Concerning the synthesis and enantioselective rearrangements of episulfoxides Journal of the Chemical Society, Perkin Transactions 1, 2000, 153 |
| 7203938 | CIF | C13 H16 O4 S2 | P 1 21 1 | 9.907; 5.888; 12.317 90; 103.06; 90 | 699.9 | Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M. Concerning the synthesis and enantioselective rearrangements of episulfoxides Journal of the Chemical Society, Perkin Transactions 1, 2000, 153 |
| 7203939 | CIF | C8 H12 O2 S | P 1 21 1 | 6.101; 8.826; 7.894 90; 98.54; 90 | 420.4 | Blake, Alexander J.; Cooke, Paul A.; Kendall, Jackie D.; Simpkins, Nigel S.; Westaway, Susan M. Concerning the synthesis and enantioselective rearrangements of episulfoxides Journal of the Chemical Society, Perkin Transactions 1, 2000, 153 |
| 7203941 | CIF | C26 H28 N2 O2 Sn | C 1 2/c 1 | 11.836; 19.401; 10.58 90; 110.81; 90 | 2271 | Kitamura, Chitoshi; Maeda, Naoyuki; Kamada, Noboru; Ouchi, Mikio; Yoneda, Akio Synthesis of 2-(substituted methyl)quinolin-8-ols and their complexation with Sn(II) Journal of the Chemical Society, Perkin Transactions 1, 2000, 781 |
| 7203944 | CIF | C19 H17 N O4 | P 21 21 21 | 7.046; 7.204; 31.591 90; 90; 90 | 1603.5 | Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines Journal of the Chemical Society, Perkin Transactions 1, 2000, 753 |
| 7203945 | CIF | C28 H27 Cl4 N O8 | C 1 2 1 | 23.144; 11.273; 12.357 90; 114.86; 90 | 2925.2 | Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines Journal of the Chemical Society, Perkin Transactions 1, 2000, 753 |
| 7203950 | CIF | C15 H26 O3 | P 1 21/a 1 | 10.453; 23.017; 12.223 90; 102.83; 90 | 2867.4 | Muri, Estela; Kanazawa, Alice; Barreiro, Eliezer; Greene, Andrew E. Asymmetric synthesis of 3β-angeloyloxy-4β-hydroxyeudesman-8-one, purported sesquiterpene from Pluchea quitoc † Journal of the Chemical Society, Perkin Transactions 1, 2000, 731 |
| 7203956 | CIF | C20 H19 O P Se | P -1 | 9.404; 16.703; 5.777 96.67; 107.37; 83.96 | 857.8 | Murai, Toshiaki; Izumi, Chiyoko; Itoh, Toshihide; Kato, Shinzi Reactions of selenothioic acid S-esters with trivalent phosphorus compounds: new synthetic methods for α-phosphoryl alkyl sulfides and alkyl selenides Journal of the Chemical Society, Perkin Transactions 1, 2000, 917 |
| 7203957 | CIF | C9 H18 O2 | P b n a | 8.254; 11.229; 20.088 90; 90; 90 | 1861.8 | Johnston, Derek; McCusker, Catherine F.; Muir, Kenneth; Procter, David J. Samarium(II)-mediated 4-exo-trig cyclisations of unsaturated aldehydes. A stereoselective approach to functionalised cyclobutanols Journal of the Chemical Society, Perkin Transactions 1, 2000, 681 |
| 7204042 | CIF | C12 H9 Cl2 N O3 | P b c a | 11.131; 25.771; 8.699 90; 90; 90 | 2495.4 | Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D. Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ® Journal of the Chemical Society, Perkin Transactions 1, 2001, 1168 |
| 7204043 | CIF | C12 H9 Cl2 N O3 | P 1 21/c 1 | 14.092; 8.212; 21.719 90; 93.06; 90 | 2509.8 | Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D. Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ® Journal of the Chemical Society, Perkin Transactions 1, 2001, 1168 |
| 7204057 | CIF | C75 H110 N12 O10 | P -1 | 8.775; 14.312; 30.069 85.76; 81.87; 85.32 | 3718 | Reichert, Anja; Fröhlich, Roland; Ferguson, Roderick; Kraft, Arno Binding interactions between 3-aryl-1,2,4-oxadiazol-5-ones and a trisimidazoline base Journal of the Chemical Society, Perkin Transactions 1, 2001, 1321 |
| 7204065 | CIF | C22 H24 N6 O7 S | P 1 21/c 1 | 5.063; 29.246; 16.325 90; 95.98; 90 | 2404 | Booth, Brian L.; Cabral, Isabel M.; Dias, Alice M.; Freitas, A. Paula; Matos Beja, Ana M.; Proença, M. Fernanda; Silva, Manuela Ramos A new and efficient approach to the synthesis of 6-amidino-2-oxopurines Journal of the Chemical Society, Perkin Transactions 1, 2001, 1241 |
| 7204094 | CIF | C19 H26 Cl N O S Si | P b c a | 7.4927; 17.788; 30.694 90; 90; 90 | 4090.9 | Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J. One-step synthesis of 5-acylisothiazoles from furans Journal of the Chemical Society, Perkin Transactions 1, 2001, 1304 |
| 7204095 | CIF | C19 H27 N O S Si | P -1 | 8.0792; 8.1905; 15.983 77.493; 86.74; 71.463 | 978.9 | Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J. One-step synthesis of 5-acylisothiazoles from furans Journal of the Chemical Society, Perkin Transactions 1, 2001, 1304 |
| 7204096 | CIF | C16 H11 N O3 S2 | C 1 2/c 1 | 21.714; 9.2748; 15.3842 90; 101.432; 90 | 3036.8 | Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J. One-step synthesis of 5-acylisothiazoles from furans Journal of the Chemical Society, Perkin Transactions 1, 2001, 1304 |
| 7204097 | CIF | C16 H11 N O S2 | P -1 | 8.8669; 8.9717; 10.3455 88.032; 68.422; 68.794 | 708.86 | Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J. One-step synthesis of 5-acylisothiazoles from furans Journal of the Chemical Society, Perkin Transactions 1, 2001, 1304 |
| 7204098 | CIF | C11 H7 N O3 S | P 1 21/c 1 | 6.3133; 10.9118; 15.324 90; 96.85; 90 | 1048.13 | Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J. One-step synthesis of 5-acylisothiazoles from furans Journal of the Chemical Society, Perkin Transactions 1, 2001, 1304 |
| 7204099 | CIF | C20 H17 N5 O2 | P -1 | 8.1189; 10.5252; 11.2494 100.943; 103.565; 93.725 | 911.43 | Kobayashi, Tomoshige; Miki, Kiyomi; Nikaeen, Behrooz; Ohta, Akira Neighboring group effect of pyridazine and pyrazine rings for π-facial selectivity in the reactions of fused isopropylidenenorbornene systems with electrophilic reagents Journal of the Chemical Society, Perkin Transactions 1, 2001, 1372 |
| 7204112 | CIF | C15 H23 N O4 | C 1 2/c 1 | 25.365; 11.86; 12.158 90; 116.14; 90 | 3283 | Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines Journal of the Chemical Society, Perkin Transactions 1, 2001, 1435 |
| 7204113 | CIF | C16 H23 N O4 | P -1 | 9.886; 12.422; 7.391 93.16; 95.88; 111.93 | 833.2 | Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines Journal of the Chemical Society, Perkin Transactions 1, 2001, 1435 |
| 7204114 | CIF | C16 H25 N O4 | P -1 | 7.31; 10.038; 12.314 111.2; 93.03; 95.48 | 834.847 | Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines Journal of the Chemical Society, Perkin Transactions 1, 2001, 1435 |
| 7204132 | CIF | C40 H48 O8 | P 1 21/n 1 | 10.77; 11.26; 15.146 90; 105.77; 90 | 1767.6 | Komatsu, Naoki; Chishiro, Takefumi Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures Journal of the Chemical Society, Perkin Transactions 1, 2001, 1532-1537 |
| 7204133 | CIF | C40 H48 O8 S4 | P -1 | 13.21; 14.508; 13.117 100.26; 107.11; 116.99 | 1992.5 | Komatsu, Naoki; Chishiro, Takefumi Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures Journal of the Chemical Society, Perkin Transactions 1, 2001, 1532-1537 |
| 7204134 | CIF | C36 H40 O6 | C m c 21 | 23.388; 17.227; 7.655 89; 89; 90 | 3083.3 | Komatsu, Naoki; Chishiro, Takefumi Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures Journal of the Chemical Society, Perkin Transactions 1, 2001, 1532-1537 |
| 7204135 | CIF | C36 H40 O6 | P 1 21/n 1 | 14.3011; 7.608; 15.421 90; 113.246; 90 | 1541.6 | Komatsu, Naoki; Chishiro, Takefumi Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures Journal of the Chemical Society, Perkin Transactions 1, 2001, 1532-1537 |
| 7204144 | CIF | C16 H19 N7 O | P b c n | 38.754; 7.958; 20.954 90; 90; 90 | 6462 | Julian S. Northen; F. Thomas Boyle; William Clegg; Nicola J. Curtin; Andrew J. Edwards; Roger J. Griffin; Bernard T. Golding Controlled stepwise conversion of 2,4,6,8-tetrachloropyrimido[5,4-d]pyrimidine into 2,4,6,8-tetrasubstituted pyrimido[5,4-d]pyrimidines J. Chem. Soc., Perkin Trans. 1, 2002, 108-115 |
| 7204155 | CIF | C17 H13 N7 | P 1 21/n 1 | 6.136; 30.47; 9.285 90; 102.81; 90 | 1692.75 | Flamini, Alberto; Fares, Vincenzo; Capobianchi, Aldo; Valentini, Veronica 5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine: synthesis of alkylimino derivatives. X-Ray crystal and molecular structures of the hex-5-enyl, and Langmuir–Blodgett film of the octyl and octadecyl derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 3069 |
| 7204183 | CIF | C15 H19 N O4 | P 21 21 21 | 5.3164; 11.9673; 20.8468 90; 90; 90 | 1326.33 | Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J. Stereoselective synthesis of the pyrroloisoquinoline ring system Journal of the Chemical Society, Perkin Transactions 1, 2001, 3029 |
| 7204184 | CIF | C14 H17 N O2 | P 1 21 1 | 7.715; 8.0282; 10.0287 90; 109.876; 90 | 584.15 | Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J. Stereoselective synthesis of the pyrroloisoquinoline ring system Journal of the Chemical Society, Perkin Transactions 1, 2001, 3029 |
| 7204185 | CIF | C16 H21 N O4 | P 1 21 1 | 10.5447; 9.5411; 14.7057 90; 94.006; 90 | 1475.9 | Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J. Stereoselective synthesis of the pyrroloisoquinoline ring system Journal of the Chemical Society, Perkin Transactions 1, 2001, 3029 |
| 7204186 | CIF | C15 H26 O S | P 21 21 21 | 7.5509; 7.9475; 23.423 90; 90; 90 | 1405.6 | Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes J. Chem. Soc., Perkin Trans. 1, 2001, 2604-2622 |
| 7204187 | CIF | C8 H14 O3 S | P 21 21 21 | 5.2525; 10.029; 17.826 90; 90; 90 | 939 | Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes J. Chem. Soc., Perkin Trans. 1, 2001, 2604-2622 |
| 7204193 | CIF | C18 H21 B Br N O P | C 1 2 1 | 27.0233; 14.3417; 20.1259 90; 96.751; 90 | 7745.9 | Leung, Wilson; Cosway, Sarah; Jones, Raymond H. V.; McCann, Hannah; Wills, Martin Synthesis of dihydrobenzazaphosphole ligands via an intramolecular cyclisation reaction Journal of the Chemical Society, Perkin Transactions 1, 2001, 2588 |
| 7204199 | CIF | C31 H29 N3 O7 | P 21 21 21 | 11.315; 14.21; 17.368 90; 90; 90 | 2792.5 | Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones J. Chem. Soc., Perkin Trans. 1, 2002, 257-274 |
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