Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7213409 | CIF | C25 H23 Br F3 N O5 | P 21 21 21 | 10.33; 11.287; 21.203 90; 90; 90 | 2472.2 | Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F. Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids Journal of the Chemical Society, Perkin Transactions 1, 2000, 3397 |
| 7213410 | CIF | C18 H30 O2 | P -1 | 6.3717; 10.2304; 12.68 94.724; 99.273; 97.332 | 804.6 | Robertson, Jeremy; Hatley, Richard J. D.; Watkin, David J. Preparation of the tricyclic ketopyrrole core of roseophilin by radical macrocyclisation and Paal‒Knorr condensation Journal of the Chemical Society, Perkin Transactions 1, 2000, 3389 |
| 7213411 | CIF | C20 H16 O4 | P 1 21/n 1 | 7.4089; 10.5805; 20.2337 90; 90.491; 90 | 1586.06 | Nair, Vijay; Nandakumar, Mecheril Valsan; Anilkumar, Gopinathan Nair; Maliakal, Davis; Vairamani, Mariappanadar; Prabhakar, Sripadi; Rath, Nigam P. Cycloaddition reactions of 2-oxo-2H-cyclohepta[b]furan derivatives with arylacetylenes and the di-π-methane rearrangement of homobarrelene derivatives Journal of the Chemical Society, Perkin Transactions 1, 2000, 3795 |
| 7213412 | CIF | C36 H28 N4 Ni | P 1 21/n 1 | 12.738; 14.973; 28.374 90; 93.06; 90 | 5404 | Senge, Mathias O.; Feng, Xiangdong Regioselective reaction of 5,15-disubstituted porphyrins with organolithium reagents—synthetic access to 5,10,15-trisubstituted porphyrins and directly meso-meso-linked bisporphyrins Journal of the Chemical Society, Perkin Transactions 1, 2000, 3615 |
| 7213413 | CIF | C35 H28 N4 | P 1 21/n 1 | 12.157; 18.255; 13.045 90; 116.75; 90 | 2585 | Senge, Mathias O.; Feng, Xiangdong Regioselective reaction of 5,15-disubstituted porphyrins with organolithium reagents—synthetic access to 5,10,15-trisubstituted porphyrins and directly meso-meso-linked bisporphyrins Journal of the Chemical Society, Perkin Transactions 1, 2000, 3615 |
| 7213416 | CIF | C14 H25 N O3 Si | P 1 21 1 | 7.15; 9.834; 12.116 90; 94.66; 90 | 849.1 | Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D. A novel approach to bis-isoxazolines using a latent form of cyclopentadienone Journal of the Chemical Society, Perkin Transactions 1, 2000, 3592 |
| 7213417 | CIF | C18 H24 Br N O3 Si | P 1 21/n 1 | 7.091; 25.43; 11.529 90; 96.49; 90 | 2066 | Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D. A novel approach to bis-isoxazolines using a latent form of cyclopentadienone Journal of the Chemical Society, Perkin Transactions 1, 2000, 3592 |
| 7213418 | CIF | C15 H13 Br N2 O3 | P 1 21/n 1 | 5.513; 49.82; 10.84 90; 103.71; 90 | 2892 | Basra, Sanjivanjit K.; Drew, Michael G. B.; Mann, John; Kane, Peter D. A novel approach to bis-isoxazolines using a latent form of cyclopentadienone Journal of the Chemical Society, Perkin Transactions 1, 2000, 3592 |
| 7213419 | CIF | C16 H13 N O2 S | C 1 c 1 | 11.2827; 13.2262; 9.239 90; 98.352; 90 | 1364.1 | Ram, Vishnu J.; Nath, Mahendra; Srivastava, Pratibha; Sarkhel, Sanjay; Maulik, Prakas R. A facile access to the synthesis of functionalised unsymmetrical biaryls from 2H-pyran-2-ones through carbanion induced C‒C bond formation † Journal of the Chemical Society, Perkin Transactions 1, 2000, 3719 |
| 7213425 | CIF | C27 H41 N3 O6 Si | P -1 | 10.781; 11.994; 12.33 79.69; 81.95; 78 | 1525.6 | Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R. Stereoisomerism in 3-[N-(2-acetoxypropanoyl)-N-acylamino]quinazolin-4(3H )-ones, enantioselective acylating agents Journal of the Chemical Society, Perkin Transactions 1, 2000, 4413 |
| 7213426 | CIF | C30 H29 N P2 | P 1 21/n 1 | 9.555; 10.182; 25.711 90; 98.75; 90 | 2472.3 | Batsanov, Andrei S.; Davidson, Matthew G.; Fernández, Ignacio; Howard, Judith A. K.; López-Ortiz, Fernando; Price, Richard D. One pot synthesis of a chiral N-phosphine substituted iminophosphorane: X-ray structure and in situ NMR study Journal of the Chemical Society, Perkin Transactions 1, 2000, 4237 |
| 7213427 | CIF | C20 H28 B N O4 | P b c a | 12.9858; 11.7576; 25.6292 90; 90; 90 | 3913.1 | Green, Stuart; Nelson, Adam; Warriner, Stuart; Whittaker, Benjamin Synthesis and investigation of the configurational stability of some dimethylammonium borate salts Journal of the Chemical Society, Perkin Transactions 1, 2000, 4403 |
| 7213429 | CIF | C22 H22 Cl2 N4 O | P 1 21/c 1 | 9.667; 14.06; 17.366 90; 105.9; 90 | 2270 | Cheng, Ying; Jiao, Peng; Williams, David J.; Cohn, Otto-Meth Unexpected products from the formylation of N,N-dimethylanilines with 2-formamidopyridine in POCl3 Journal of the Chemical Society, Perkin Transactions 1, 2001, 44 |
| 7213430 | CIF | C17 H18 O2 | P 21 21 21 | 9.538; 16.348; 8.395 90; 90; 90 | 1309 | Kennedy, Alan R.; Kerr, William J.; Lindsay, David M.; Scott, James S.; Watson, Stephen P. Stereochemical and mechanistic features of asymmetric Pauson‒Khand processes Journal of the Chemical Society, Perkin Transactions 1, 2000, 4366 |
| 7213431 | CIF | C35 H39 Cl18 N9 Sb2 | P -1 | 9.537; 10.64; 27.931 90.85; 92.16; 89.99 | 2831.9 | Wirschun, Wolfgang G.; Al-Soud, Yaseen A.; Nusser, Konstanze A.; Orama, Olli; Maier, Gerd-Michael; Jochims, Johannes C. Cycloadditions of 1-aza-2-azoniaallene ions to alkenes Journal of the Chemical Society, Perkin Transactions 1, 2000, 4356 |
| 7213432 | CIF | C21 H30 O5 Si | P 1 21 1 | 6.423; 11.868; 14.006 90; 93.3; 90 | 1065.9 | Banwell, Martin; Hockless, David; Jarrott, Bevyn; Kelly, Brian; Knill, Andrew; Longmore, Robert; Simpson, Gregory Chemoenzymatic approaches to the decahydro-as-indacene cores associated with the spinosyn class of insecticide Journal of the Chemical Society, Perkin Transactions 1, 2000, 3555 |
| 7213434 | CIF | C13 H18 N3 O1.5 S | C 1 2/c 1 | 47.033; 11.218; 10.557 90; 92.501; 90 | 5564.7 | Hawksley, Daniel; Griffin, David A.; Leeper, Finian J. Synthesis of 3-deazathiamine Journal of the Chemical Society, Perkin Transactions 1, 2001, 144 |
| 7213435 | CIF | C24 H28 N4 O7 | P -1 | 10.628; 11.108; 11.442 71.62; 74.82; 85 | 1237.1 | Heaney, Frances; Burke, Cathriona; Cunningham, Desmond; McArdle, Patrick Pyrimidine annelated heterocycles - synthesis and cycloaddition of the first pyrimido[1,4]diazepine N-oxides Journal of the Chemical Society, Perkin Transactions 1, 2001, 622 |
| 7213436 | CIF | C24 H27 N | P 21 21 21 | 8.6255; 9.9353; 22.5592 90; 90; 90 | 1933.25 | Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms Journal of the Chemical Society, Perkin Transactions 1, 2000, 4222 |
| 7213437 | CIF | C24 H27 N | R -3 :H | 11.522; 11.522; 50.079 90; 90; 120 | 5757.6 | Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms Journal of the Chemical Society, Perkin Transactions 1, 2000, 4222 |
| 7213438 | CIF | C11 H12 Cl N O4 | P 21 21 21 | 10.615; 14.277; 7.838 90; 90; 90 | 1187.9 | Shi, Min; Jiang, Jian-Kang; Cui, Shi-Cong; Feng, Yan-Shu Titanium(IV) chloride, zirconium(IV) chloride or boron trichloride and phosphine-promoted Baylis‒Hillman reaction of aldehydes with α,β-unsaturated ketone Journal of the Chemical Society, Perkin Transactions 1, 2001, 390 |
| 7213439 | CIF | C21 H34 Br N O4 | P 1 21 1 | 10.023; 11.832; 10.575 90; 108.29; 90 | 1190.8 | Banwell, Martin G.; Ebenbeck, Wolfgang; Edwards, Alison J. Ring-fused gem-dibromocyclopropanes as precursors to enantiomerically pure D- and L-series 3-deoxy- and 2-amino-2,3-dideoxyaldohexose derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 114 |
| 7213440 | CIF | C23 H30 O9 | P 1 | 8.3738; 8.5966; 10.291 67.4; 75.08; 67.33 | 625.9 | Edwards, Raymond L.; Maitland, Derek J.; Scowen, Ian J.; De Sousa, Antonio J. T.; Whalley, Anthony J. S. Metabolites of the higher fungi. Part 32. Rosnecatrone, a phytotoxic bicyclo[4.1.0]hept-3-en-2-one from the fungus Rosellinia necatrix Prill Journal of the Chemical Society, Perkin Transactions 1, 2001, 537 |
| 7213443 | CIF | C19 H22 O2 | R 3 :H | 18.759; 18.759; 12.252 90; 90; 120 | 3733.9 | Bickley, Jamie F.; Gillmore, Adam T.; Roberts, Stanley M.; Skidmore, John; Steiner, Alexander Synthesis and reactions of some optically active epoxides formally derived from tertiary allylic alcohols Journal of the Chemical Society, Perkin Transactions 1, 2001, 1109 |
| 7213444 | CIF | C18 H20 O3 | P 1 21 1 | 11.362; 4.873; 13.98 90; 100.937; 90 | 759.97 | Boesen, Thomas; Feeder, Neil; Eastgate, Martin D.; Fox, David J.; Medlock, Jonathan A.; Tyzack, Charles R.; Warren, Stuart The chemistry of lithiated phosphine oxides: the stereoselective synthesis of alkene-4,5-diols Journal of the Chemical Society, Perkin Transactions 1, 2001, 118 |
| 7213446 | CIF | C10 H23 N3 Si2 | P 21 21 21 | 13.449; 13.597; 16.399 90; 90; 90 | 2999 | Boesveld, W. Marco; Hitchcock, Peter B.; Lappert, Michael F. Substituted triazines and pyrimidines from 1,3,5-triazine and a lithium amidinate, alkyl- or 1-azaallyl Journal of the Chemical Society, Perkin Transactions 1, 2001, 1103 |
| 7213447 | CIF | C30 H36 N2 Si | P 21 21 21 | 7.5318; 13.3032; 25.6712 90; 90; 90 | 2572.18 | von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material Journal of the Chemical Society, Perkin Transactions 1, 2001, 706 |
| 7213448 | CIF | C36 H66 N2 Si3 | C 1 2 1 | 26.2381; 9.292; 16.1808 90; 105.905; 90 | 3793.9 | von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material Journal of the Chemical Society, Perkin Transactions 1, 2001, 706 |
| 7213449 | CIF | C36 H48 N2 Si | P 1 | 9.7011; 11.704; 14.5936 96.862; 100.249; 100.163 | 1585.37 | von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material Journal of the Chemical Society, Perkin Transactions 1, 2001, 706 |
| 7213459 | CIF | C48 H39 Cr O4 P3 | P 1 21/c 1 | 20.7994; 10.52; 19.6241 90; 103.703; 90 | 4171.72 | Gibson (née Thomas), Susan E.; Steed, Jonathan W.; Sur, Surojit Multiple substitutions on (η6-arene)tricarbonylchromium(0) complexes Journal of the Chemical Society, Perkin Transactions 1, 2001, 636 |
| 7213460 | CIF | C29 H22 Cl F2 N3 O2 | C 1 2/c 1 | 44.292; 7.662; 14.949 90; 92.71; 90 | 5067.5 | Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R. One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions Journal of the Chemical Society, Perkin Transactions 1, 2001, 1953 |
| 7213461 | CIF | C25 H23 Cl N4 | P -1 | 8.452; 12.398; 21.137 75.02; 83.19; 81.7 | 2109.6 | Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R. One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions Journal of the Chemical Society, Perkin Transactions 1, 2001, 1953 |
| 7213462 | CIF | C16 H20 N8 O2 | P -1 | 8.9484; 10.087; 11.163 78.86; 89.33; 69.04 | 921.4 | Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P. Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles Journal of the Chemical Society, Perkin Transactions 1, 2001, 485 |
| 7213463 | CIF | C6 H6 N4 O | P 1 21/c 1 | 4.6631; 17.102; 9.1625 90; 93.764; 90 | 729.1 | Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P. Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles Journal of the Chemical Society, Perkin Transactions 1, 2001, 485 |
| 7213464 | CIF | C25 H17 N3 O2 | P 1 21/n 1 | 15.508; 3.832; 30.909 90; 92.3; 90 | 1835.3 | Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A. The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans Journal of the Chemical Society, Perkin Transactions 1, 2001, 680 |
| 7213465 | CIF | C20 H15 N3 | C 1 2/c 1 | 25.908; 10.067; 11.851 90; 103.36; 90 | 3007.3 | Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A. The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans Journal of the Chemical Society, Perkin Transactions 1, 2001, 680 |
| 7213471 | CIF | C17 H18 O2 | P 21 21 21 | 5.6084; 13.3595; 19.118 90; 90; 90 | 1432.4 | Bickley, Jamie F.; Hauer, Bernhardt; Pena, Paula C. A.; Roberts, Stanley M.; Skidmore, John The semi-pinacol rearrangement of homochiral epoxyalcohols catalysed by rare earth triflates Journal of the Chemical Society, Perkin Transactions 1, 2001, 1253 |
| 7213472 | CIF | C28 H29 N O3 | P 1 21 1 | 10.765; 9.013; 12.835 90; 111.43; 90 | 1159.2 | Alexander (née Gillon), Karen; Cook, Stuart; Gibson, Colin L.; Kennedy†, Alan R. Highly effective and recyclable chiral auxiliaries: a study of the synthesis and use of three 4-isopropyl-5,5-diaryloxazolidin-2-ones Journal of the Chemical Society, Perkin Transactions 1, 2001, 1538 |
| 7213478 | CIF | C28.5 H21.5 Cl1.5 F O | C 1 2/c 1 | 27.44; 8.192; 21.428 90; 106.25; 90 | 4624.3 | Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes† Journal of the Chemical Society, Perkin Transactions 1, 2001, 1929 |
| 7213479 | CIF | C28 H21 F O | C 1 2/c 1 | 28.038; 10.358; 16.719 90; 122.83; 90 | 4080 | Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes† Journal of the Chemical Society, Perkin Transactions 1, 2001, 1929 |
| 7213480 | CIF | C21 H30 O3 | P 21 21 21 | 7.976; 9.399; 24.084 90; 90; 90 | 1805.5 | Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 1511 |
| 7213481 | CIF | C24 H36 O5 | P 21 21 21 | 7.518; 16.476; 17.818 90; 90; 90 | 2207.1 | Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 1511 |
| 7213482 | CIF | C21 H31 I O | P 21 21 21 | 7.887; 12.51; 20.083 90; 90; 90 | 1981.5 | Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 1511 |
| 7213483 | CIF | C21 H31 I O | P 21 21 21 | 6.6963; 11.819; 24.686 90; 90; 90 | 1953.7 | Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives Journal of the Chemical Society, Perkin Transactions 1, 2001, 1511 |
| 7213484 | CIF | C27 H40 N4 O4 | P 1 21 1 | 15.0943; 10.1836; 17.828 90; 96.189; 90 | 2724.4 | Efskind, Jon; Römming, Christian; Undheim, Kjell Stereocontrolled construction of rigid tricyclic bis(α-amino acid) derivatives by Ru(Ii)-catalyzed cascade and Diels–Alder reactions Journal of the Chemical Society, Perkin Transactions 1, 2001, 2697 |
| 7213485 | CIF | C19 H16 N2 O5 S | P 1 21/n 1 | 5.713; 31.811; 9.9 90; 98.246; 90 | 1780.6 | Brown, Giles A.; Anderson, Kirsty M.; Large, Jonathan M.; Planchenault, Denis; Urban, Dominique; Hales, Neil J.; Gallagher, Timothy Trapping highly reactive dipolarophiles. Exploiting the mechanism associated with the azomethine ylide strategy for β-lactam synthesis Journal of the Chemical Society, Perkin Transactions 1, 2001, 1897 |
| 7213486 | CIF | C26 H32 N2 O10 S2 | P 1 21/n 1 | 9.1807; 11.696; 13.88 90; 105.103; 90 | 1438.9 | Michael, Joseph P.; de Koning, Charles B.; van der Westhuyzen, Christiaan W.; Fernandes, Manuel A. Influence of ring size on the outcome of sulfide contraction reactions with thiolactams. Isolation of bicyclic ketene S,N-acetals and thioisomünchnones Journal of the Chemical Society, Perkin Transactions 1, 2001, 2055 |
| 7213487 | CIF | C8 H17 B0 F6 N2 P | P 1 21/c 1 | 8.141; 11.23; 14.131 90; 101.22; 90 | 1267.2 | Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J. Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes Journal of the Chemical Society, Perkin Transactions 1, 2001, 1586 |
| 7213488 | CIF | C14 H29 F3 N2 O3 S | P -1 | 8.996; 9.238; 11.992 90.02; 91.36; 112.5 | 920.4 | Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J. Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes Journal of the Chemical Society, Perkin Transactions 1, 2001, 1586 |
| 7213489 | CIF | C12 H25 F6 N2 P | P 21 21 21 | 9.61; 12.226; 14.09 90; 90; 90 | 1655.5 | Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J. Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes Journal of the Chemical Society, Perkin Transactions 1, 2001, 1586 |
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