Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7151138 | CIF | C42 H54 B2 F8 N6 O12 | P -1 | 8.9189; 11.0803; 12.0622 81.66; 79.928; 77.557 | 1138.93 | Castillo, Dolores; Astudillo, Pablo; Mares, Jennifer; González, Felipe J; Vela, Alberto; Tiburcio, Jorge Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles. Organic & biomolecular chemistry, 2007, 5, 2252-2256 |
7151139 | CIF | C19 H21 N O6 | P b c n | 14.913; 15.95; 14.25 90; 90; 90 | 3389.5 | Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G. Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata. Organic & biomolecular chemistry, 2007, 5, 2983-2991 |
7151140 | CIF | C18 H20 Cl N O5 | P 1 | 7.3052; 13.9881; 17.435 70.603; 87.747; 84.239 | 1672 | Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G. Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata. Organic & biomolecular chemistry, 2007, 5, 2983-2991 |
7151141 | CIF | C11 H12 O4 | P 1 21/c 1 | 6.9224; 13.7063; 10.2746 90; 99.149; 90 | 962.46 | Goh, Yit Wooi; White, Jonathan M. Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction. Organic & biomolecular chemistry, 2007, 5, 2354-2356 |
7151142 | CIF | C12 H14 O5 | P 1 21/c 1 | 7.6323; 8.5174; 17.502 90; 97.041; 90 | 1129.2 | Goh, Yit Wooi; White, Jonathan M. Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction. Organic & biomolecular chemistry, 2007, 5, 2354-2356 |
7151143 | CIF | C11 H17 N O3 | C m c 21 | 9.304; 8.6876; 12.6963 90; 90; 90 | 1026.23 | Goh, Yit Wooi; White, Jonathan M. Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction. Organic & biomolecular chemistry, 2007, 5, 2354-2356 |
7151144 | CIF | C26 H34 N2 O3 | P 1 21 1 | 14.118; 6.1198; 14.4072 90; 108.441; 90 | 1180.85 | Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives. Organic & biomolecular chemistry, 2007, 5, 2812-2825 |
7151145 | CIF | C32 H38 N2 O4 | P 21 21 21 | 8.6876; 14.8422; 22.3552 90; 90; 90 | 2882.55 | Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives. Organic & biomolecular chemistry, 2007, 5, 2812-2825 |
7151146 | CIF | C29 H40 N2 O4 | P 21 21 21 | 11.5661; 12.049; 20.5677 90; 90; 90 | 2866.31 | Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives. Organic & biomolecular chemistry, 2007, 5, 2812-2825 |
7151147 | CIF | C22 H31 N O6 S | P 1 21/a 1 | 10.2895; 10.2232; 22.4956 90; 94.284; 90 | 2359.7 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151148 | CIF | C27 H35 N O10 S | P 1 21/c 1 | 11.0618; 17.0577; 16.0387 90; 105.509; 90 | 2916.13 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151149 | CIF | C17 H23 N O4 S | P 1 21/a 1 | 6.1394; 21.563; 13.0265 90; 102.48; 90 | 1683.8 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151150 | CIF | C16 H21 N O4 S | P 1 21/n 1 | 7.6072; 12.0948; 17.8368 90; 96.33; 90 | 1631.12 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151151 | CIF | C21 H27 Cl3 N2 O5 S | P -1 | 6.0833; 9.5865; 22.1903 81.993; 86.709; 78.059 | 1253.19 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151152 | CIF | C25 H24 O4 | P 1 21/a 1 | 13.9345; 8.792; 16.3108 90; 96.0142; 90 | 1987.27 | Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry, 2007, 5, 2606 |
7151153 | CIF | C27 H26 O6 | P b c a | 15.0402; 15.3235; 19.7863 90; 90; 90 | 4560.12 | Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry, 2007, 5, 2606 |
7151154 | CIF | C25 H24 O4 | P 1 21 1 | 11.019; 7.6264; 12.1306 90; 91.3965; 90 | 1019.1 | Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry, 2007, 5, 2606 |
7151155 | CIF | C11 H15 Cl2 N O2 | P 1 21 1 | 7.3431; 6.158; 14.2504 90; 90.828; 90 | 644.32 | Spiess, Stephanie; Berthold, Carola; Weihofen, Robert; Helmchen, Günter Synthesis of alpha,beta-unsaturated gamma-lactams via asymmetric iridium-catalysed allylic substitution. Organic & biomolecular chemistry, 2007, 5, 2357-2360 |
7151156 | CIF | C22 H17 Cu N5 O6 | P 1 21/c 1 | 12.996; 9.9631; 17.8565 90; 116.763; 90 | 2064.4 | Bertrand, Hélène; Monchaud, David; De Cian, Anne; Guillot, Régis; Mergny, Jean-Louis; Teulade-Fichou, Marie-Paule The importance of metal geometry in the recognition of G-quadruplex-DNA by metal-terpyridine complexes Organic & Biomolecular Chemistry, 2007, 5, 2555 |
7151157 | CIF | C15 H17 N3 O2 | P -1 | 7.6411; 8.4172; 12.521 71.402; 85.487; 63.189 | 679.18 | Kumarn, Sirirat; Oelke, Alexander J.; Shaw, David M.; Longbottom, Deborah A.; Ley, Steven V. A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines Organic & Biomolecular Chemistry, 2007, 5, 2678 |
7151158 | CIF | C20 H24 Cl3 N O5 S | P 1 21/c 1 | 10.716; 20.066; 10.835 90; 91.767; 90 | 2328.7 | Baylis, Alison M.; Davies, Michael P. H.; Thomas, Eric J. Synthetic approaches to the polycyclic alkaloid stemofoline. Organic & biomolecular chemistry, 2007, 5, 3139-3155 |
7151159 | CIF | C12 H12 Br N O2 S | P b c n | 16.5525; 10.1393; 14.0826 90; 90; 90 | 2363.49 | Harling, John D.; Steel, Patrick G.; Woods, Tom M.; Yufit, Dmitry S. One-pot synthesis of benzothiazolines and napthathiazolines via cascade ortho-lithiation, cyclisation and elimination of N-arylsulfonyl lactams. Organic & biomolecular chemistry, 2007, 5, 3472-3476 |
7151160 | CIF | C28 H23 N7 O3 | P 1 | 10.79; 10.8; 13.163 96.79; 106; 105.9 | 1386.6 | Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions. Organic & biomolecular chemistry, 2007, 5, 2849-2857 |
7151161 | CIF | C48 H38 F12 N11 O3 P2 Ru2 | P 1 | 13.291; 13.669; 16.242 89.02; 71.32; 89.82 | 2794.9 | Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions. Organic & biomolecular chemistry, 2007, 5, 2849-2857 |
7151162 | CIF | C20 H30 O2 | P 1 21/c 1 | 16.9623; 9.9591; 11.0721 90; 96.287; 90 | 1859.15 | Hughes, Nicholas J.; Pullin, Robert D. C.; Sanganee, Mahesh J.; Sellars, Jonathan D.; Steel, Patrick G.; Turner, Michael J. Hosomi-Sakurai reactions of silacyclohexenes. Organic & biomolecular chemistry, 2007, 5, 2841-2848 |
7151163 | CIF | C15 H20 O4 S5 | P 21 21 21 | 9.3614; 10.3321; 20.0889 90; 90; 90 | 1943.1 | Brown, R. James; Brooks, Andrew C.; Griffiths, Jon-Paul; Vital, Betrand; Day, Peter; Wallis, John D. Synthesis of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives functionalised with two, four or eight hydroxyl groups. Organic & biomolecular chemistry, 2007, 5, 3172-3182 |
7151164 | CIF | C12 H13 N O3 S | P 1 21 1 | 9.243; 5.497; 12.258 90; 95.177; 90 | 620.3 | Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W. Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes. Organic & biomolecular chemistry, 2007, 5, 3156-3163 |
7151165 | CIF | C12 H12 O4 S | P 21 21 21 | 7.5636; 10.4554; 15.375 90; 90; 90 | 1215.9 | Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W. Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes. Organic & biomolecular chemistry, 2007, 5, 3156-3163 |
7151166 | CIF | C16 H22 Br N O3 S | P 1 21 1 | 8.587; 5.2659; 19.647 90; 95.641; 90 | 884.1 | Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W. Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes. Organic & biomolecular chemistry, 2007, 5, 3156-3163 |
7151167 | CIF | C12 H13 N O3 S | P 1 21 1 | 5.249; 5.794; 20.357 90; 94.212; 90 | 617.4 | Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W. Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes. Organic & biomolecular chemistry, 2007, 5, 3156-3163 |
7151168 | CIF | C13 H15 I N4 O | P 1 21/n 1 | 7.4415; 21.445; 8.9163 90; 104.154; 90 | 1379.7 | Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry. Organic & biomolecular chemistry, 2007, 5, 3805-3813 |
7151169 | CIF | C44 H56 N8 O8 | P 1 21/a 1 | 11.0274; 8.9869; 21.255 90; 91.304; 90 | 2105.87 | Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles. Organic & biomolecular chemistry, 2007, 5, 3651-3656 |
7151170 | CIF | C42 H34 Cl2 N2 O6 P2 Pt | P 21 21 21 | 11.1024; 13.8168; 26.9261 90; 90; 90 | 4130.5 | Eberhardt, Luc; Armspach, Dominique; Matt, Dominique; Oswald, Benoît; Toupet, Loic Efficient asymmetric hydrogenation of olefins with hydrazine-derived diphosphoramidites. Organic & biomolecular chemistry, 2007, 5, 3340-3346 |
7151171 | CIF | C14 H12 Cl N2 O2.5 Se | P -1 | 7.944; 9.7; 11.001 81.649; 74.131; 67.241 | 751.2 | Kuzma, Dusan; Parvez, Masood; Back, Thomas George Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity. Organic & biomolecular chemistry, 2007, 5, 3213-3217 |
7151172 | CIF | C14 H18 N2 O6 Se | P 1 21 1 | 4.554; 18.386; 9.912 90; 102.57; 90 | 810 | Kuzma, Dusan; Parvez, Masood; Back, Thomas George Formation of a spirodiazaselenurane and its corresponding azaselenonium derivatives from the oxidation of 2,2'-selenobis(benzamide). Structure, properties and glutathione peroxidase activity. Organic & biomolecular chemistry, 2007, 5, 3213-3217 |
7151173 | CIF | C21 H24 N2 O | P 1 21 1 | 12.3636; 5.2242; 13.3704 90; 97.482; 90 | 856.24 | Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation. Organic & biomolecular chemistry, 2007, 5, 3834-3841 |
7151174 | CIF | C21 H24 N2 O | P 21 21 21 | 5.3478; 13.519; 23.99 90; 90; 90 | 1734.4 | Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation. Organic & biomolecular chemistry, 2007, 5, 3834-3841 |
7151175 | CIF | C10 H11 Fe N O4 | P b c a | 11.3721; 9.835; 20.671 90; 90; 90 | 2311.9 | Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R. Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade. Organic & biomolecular chemistry, 2007, 5, 3325-3329 |
7151176 | CIF | C17 H22 Br Fe N O3 | P -1 | 7.6829; 10.9941; 12.0958 69.757; 78.689; 89.592 | 937.92 | Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R. Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade. Organic & biomolecular chemistry, 2007, 5, 3325-3329 |
7151177 | CIF | C15 H22 F3 N O6 S2 | P 41 21 2 | 9.905; 9.905; 39.488 90; 90; 90 | 3874.1 | Chen, Yue-Lei; Redlich, Hartmut; Bergander, Klaus; Fröhlich, Roland D-glucosamine trimethylene dithioacetal derivatives: formation of six- and seven-membered ring amino carbasugars. Synthesis of (-)-calystegine B3. Organic & biomolecular chemistry, 2007, 5, 3330-3339 |
7151178 | CIF | C10 H14 O3 | P 21 c n | 7.119; 10.6793; 12.0216 90; 90; 90 | 913.95 | Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E. Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction. Organic & biomolecular chemistry, 2007, 5, 3190-3200 |
7151179 | CIF | C11 H16 O3 | P 1 21/c 1 | 6.9811; 7.5933; 19.5994 90; 94.874; 90 | 1035.2 | Davies, Stephen G.; Russell, Angela J.; Sheppard, Ruth L.; Smith, Andrew D.; Thomson, James E. Evaluating beta-amino acids as enantioselective organocatalysts of the Hajos-Parrish-Eder-Sauer-Wiechert reaction. Organic & biomolecular chemistry, 2007, 5, 3190-3200 |
7151180 | CIF | C6 H9 Br O5 | P 1 21/c 1 | 11.412; 5.887; 12.379 90; 93.337; 90 | 830.24 | Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H. Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate. Organic & biomolecular chemistry, 2007, 5, 4001-4009 |
7151181 | CIF | C6 H10 Br O6 | P -1 | 6.239; 7.228; 11.171 85.342; 82.801; 69.105 | 466.56 | Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H. Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate. Organic & biomolecular chemistry, 2007, 5, 4001-4009 |
7151182 | CIF | C13 H16 N2 O5 S | P 21 21 21 | 7.7577; 17.7377; 20.872 90; 90; 90 | 2872.1 | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. Organic & biomolecular chemistry, 2007, 5, 3544-3553 |
7151183 | CIF | C13 H16 N2 O5 S | P 1 21 1 | 11.501; 6.2268; 19.785 90; 91.192; 90 | 1416.6 | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. Organic & biomolecular chemistry, 2007, 5, 3544-3553 |
7151184 | CIF | C12 H16 Br N O4 S | P 21 21 21 | 7.5443; 10.6588; 17.4366 90; 90; 90 | 1402.1 | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. Organic & biomolecular chemistry, 2007, 5, 3544-3553 |
7151185 | CIF | C12 H16 N4 O4 S | P 1 21 1 | 7.539; 17.643; 11.223 90; 100.446; 90 | 1468 | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. Organic & biomolecular chemistry, 2007, 5, 3544-3553 |
7151186 | CIF | C13 H15 N2 O5 S | P 21 21 21 | 5.6923; 15.7807; 33.089 90; 90; 90 | 2972.3 | Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors. Organic & biomolecular chemistry, 2007, 5, 3544-3553 |
7151187 | CIF | C14 H14 O6 S2 | P 1 21/c 1 | 5.098; 14.076; 20.831 90; 92.82; 90 | 1493 | Hergué, Noémie; Frère, Pierre Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieties. Organic & biomolecular chemistry, 2007, 5, 3442-3449 |
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