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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1010789 | CIF | Cl2 O24 P6 Pb10 | 10.03; 10.03; 10.03 90; 90; 90 | 1009 | Zambonini, F; Ferrari, A Ricerche sul fosfato e sul chlorofosfato di piombo (piromorfite). Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945), 1928, 7, 283-291 | |
| 1100192 | CIF | C47.5 H35 Cl2 O P2 Rh | P -1 | 10.966; 13.868; 14.306 79.09; 74.83; 74.74 | 2008.75 | Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation Chemistry - A European Journal, 2001, 7 |
| 1100220 | CIF | C11 H12 Cl N O2 | I b a 2 | 11.0478; 28.024; 7.2693 90; 90; 90 | 2250.6 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100221 | CIF | C7 H10 Cl N O2 | P 1 21/c 1 | 5.3339; 12.4601; 11.8203 90; 93.864; 90 | 783.802 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100222 | CIF | C9 H12 Cl N O2 | P 1 21/n 1 | 9.9246; 6.8908; 14.1918 90; 95.692; 90 | 965.77 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100223 | CIF | C9 H12 Cl N O2 | P 1 21/n 1 | 11.9678; 6.2949; 13.7472 90; 113.363; 90 | 950.748 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100224 | CIF | C11 H19 N O3 | P -1 | 5.6138; 7.0575; 15.9015 96.654; 95.454; 109.173 | 585.075 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100225 | CIF | C13 H14 Cl N O2 | P 1 21/n 1 | 6.9144; 9.352; 19.9486 90; 99.398; 90 | 1272.63 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100226 | CIF | C16 H27 N O3 | P -1 | 9.3539; 9.4338; 10.2406 91.805; 104.889; 109.986 | 813.611 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100227 | CIF | C19 H23 N O4 | P 1 21/n 1 | 11.818; 9.9465; 16.082 90; 110.375; 90 | 1772.13 | Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes Chemistry - A European Journal, 2001, 7, 4512-4521 |
| 1100228 | CIF | C19 H19 N O2 | P 1 21/n 1 | 13.857; 7.9815; 15.117 90; 113.252; 90 | 1536.14 | Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes Chemistry - A European Journal, 2001, 7, 4512-4521 |
| 1100229 | CIF | C19 H18 Cl3 N O2 | P -1 | 7.699; 13.7214; 18.8308 89.963; 80.265; 76.44 | 1904.43 | Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes Chemistry - A European Journal, 2001, 7, 4512-4521 |
| 1101067 | CIF | C4 H11 N3 O3 | P 1 21/c 1 | 12.5; 5.01; 12.16 90; 109; 90 | 720.031 | Mendel, H.; Hodgkin, D. C. The crystal structure of creatine monohydrate Acta Crystallographica, 1954, 7, 443-446 |
| 1101079 | CIF | Na6 O19 Si8 | P 1 21/c 1 | 4.9038; 23.481; 15.392 90; 90.14; 90 | 1772.3 | Kruger, Hannes; Kahlenberg, Volker; Kaindl, R. Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion Solid State Sciences, 2005, 7, 1390-1396 |
| 1501653 | CIF | C14 H10 N2 O2 | C 1 2/c 1 | 13.0342; 12.2529; 13.7875 90; 97.983; 90 | 2180.6 | Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes Journal of Chemical Theory and Computation, 2011, 7, 1882 |
| 1505215 | CIF | C40 H42 N2 O4 | P -1 | 4.6757; 8.502; 19.718 85.993; 88.432; 82.788 | 775.6 | Briseno, Alejandro L.; Mannsfeld, Stefan C. B.; Reese, Colin; Hancock, Jessica M.; Xiong, Yujie; Jenekhe, Samson A.; Bao, Zhenan; Xia, Younan Perylenediimide nanowires and their use in fabricating field-effect transistors and complementary inverters. Nano letters, 2007, 7, 2847-2853 |
| 1505674 | CIF | C17 H21 N O6 | P 1 | 4.95; 5.1931; 33.2 91.997; 92.826; 90.042 | 851.9 | Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus Functional lactide monomers: methodology and polymerization. Biomacromolecules, 2006, 7, 1735-1742 |
| 1505675 | CIF | C13 H14 O5 | P 1 21 1 | 8.9778; 5.9703; 12.6038 90; 107.981; 90 | 642.57 | Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus Functional lactide monomers: methodology and polymerization. Biomacromolecules, 2006, 7, 1735-1742 |
| 1506336 | CIF | C25 H26 N2 O | P -1 | 9.9752; 10.434; 11.2679 90.172; 109.741; 109.322 | 1032.9 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506337 | CIF | C16 H15 N3 O | P -1 | 8.7569; 12.5075; 12.7422 74.569; 86.623; 81.9 | 1331.55 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506338 | CIF | C20 H20 N2 O | P -1 | 8.8589; 9.5619; 11.5289 111.301; 90.111; 115.935 | 803.03 | Li, Weiwei; Lam, Yulin A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker Journal of Combinatorial Chemistry, 2005, 7, 644 |
| 1506339 | CIF | C19 H16 N2 O2 S | P -1 | 7.706; 10.338; 12.191 109.742; 95.779; 111.614 | 821.2 | Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F. Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation Journal of Combinatorial Chemistry, 2005, 7, 503 |
| 1506340 | CIF | C19 H26 N4 O2 | P 1 21/c 1 | 17.164; 8.4372; 13.333 90; 99.752; 90 | 1902.9 | Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry, 2005, 7, 734 |
| 1506341 | CIF | C17 H27 Br N4 O3 | P -1 | 11.841; 13.069; 13.905 74.71; 78.79; 86.66 | 2036 | Fu, Han; Lam, Yulin Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines Journal of Combinatorial Chemistry, 2005, 7, 734 |
| 1506445 | CIF | C24 H40 Br4 O2 | P 1 21/c 1 | 10.5953; 11.4554; 11.5796 90; 108.903; 90 | 1329.66 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506446 | CIF | C24 H36 O2 | P 1 21/c 1 | 40.0257; 7.4849; 15.0438 90; 100.68; 90 | 4428.88 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506447 | CIF | C24 H36 O2 | P n a 21 | 15.0286; 7.485; 39.3182 90; 90; 90 | 4422.87 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506448 | CIF | C16 H20 S6 | P 1 21/n 1 | 9.0844; 11.8406; 9.8502 90; 113.063; 90 | 974.85 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506449 | CIF | C16 H20 S6 | P -1 | 9.4288; 10.8171; 11.4266 107.53; 113.144; 98.332 | 974.7 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506450 | CIF | C5 H6 S3 | P n m a | 10.2496; 6.7971; 10.6545 90; 90; 90 | 742.27 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506451 | CIF | C7 H11 Cl2 I S3 | P n m a | 17.2213; 7.005; 11.4894 90; 90; 90 | 1386.03 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506452 | CIF | C6 H9 I S3 | P -1 | 6.5122; 7.7517; 11.2286 74.596; 83.282; 74.962 | 527.05 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506453 | CIF | C6 H9 I3 S3 | P 1 21/n 1 | 9.6693; 14.1562; 10.6917 90; 104.057; 90 | 1419.66 | Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity. Organic letters, 2005, 7, 917-920 |
| 1506454 | CIF | C16 H19 F6 N2 P Ru | P 21 21 21 | 9.2385; 12.0517; 16.415 90; 90; 90 | 1827.64 | Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation. Organic letters, 2005, 7, 1247-1250 |
| 1506455 | CIF | C20 H22 O6 | I 4 | 19.327; 19.327; 9.814 90; 90; 90 | 3666 | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters, 2005, 7, 881-884 |
| 1506456 | CIF | C20 H22 O6 | P 21 21 21 | 10.052; 10.322; 17.378 90; 90; 90 | 1803.1 | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. Transtaganolides A-D: novel metabolites from Thapsia transtagana. Organic letters, 2005, 7, 881-884 |
| 1506457 | CIF | C32 H38 N2 O8 | P -1 | 10.373; 10.925; 14.066 83.18; 70.88; 78.91 | 1475.3 | Frontera, Antonio; Orell, Maria; Garau, Carolina; Quiñonero, David; Molins, Elies; Mata, Ignasi; Morey, Jeroni Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide. Organic letters, 2005, 7, 1437-1440 |
| 1506458 | CIF | C52 H80 O12 | P 1 21 1 | 7.574; 27.38; 15.555 90; 104.028; 90 | 3130 | Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination? Organic letters, 2005, 7, 1441-1444 |
| 1506459 | CIF | C52 H80 O12 | P 1 21 1 | 11.529; 16.683; 12.782 90; 98.895; 90 | 2429 | Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination? Organic letters, 2005, 7, 1441-1444 |
| 1506460 | CIF | C17 H22 N2 O6 | P -1 | 9.0221; 12.5961; 16.13 83.714; 79.252; 84.161 | 1783.9 | Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung Reactivity of Mitsunobu reagent toward carbonyl compounds. Organic letters, 2005, 7, 495-498 |
| 1506461 | CIF | C18 H28 N2 O6 | P 21 21 21 | 11.35; 11.4769; 14.7702 90; 90; 90 | 1924 | Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung Reactivity of Mitsunobu reagent toward carbonyl compounds. Organic letters, 2005, 7, 495-498 |
| 1506462 | CIF | C40 H20 F24 | P -1 | 8.1348; 13.1474; 20.118 101.643; 99.396; 98.559 | 2042 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506463 | CIF | C20 H10 F12 | P 1 21/c 1 | 4.8166; 11.259; 16.773 90; 94.405; 90 | 906.9 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506464 | CIF | C36 H20 F16 | P -1 | 7.9641; 11.8791; 16.6095 92.391; 99.039; 94.984 | 1543.5 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506465 | CIF | C18 H10 F8 | P -1 | 4.7834; 7.7026; 11.29 104.706; 97.67; 104.072 | 381.74 | Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J. Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization. Organic letters, 2005, 7, 1007-1010 |
| 1506466 | CIF | C19 H17 N O4 S | P 21 21 21 | 6.4992; 14.9706; 34.8326 90; 90; 90 | 3389.1 | Pemberton, Nils; Emtenäs, Hans; Boström, Dan; Domaille, Peter J.; Greenberg, William A.; Levin, Michael D.; Zhu, Zuolin; Almqvist, Fredrik Cycloaddition of delta2-thiazolines and acyl ketenes under acidic conditions results in bicyclic 1,3-oxazinones and not 6-acylpenams as earlier reported. Organic letters, 2005, 7, 1019-1021 |
| 1506467 | CIF | C17 H15 N O3 | P -1 | 7.488; 8.724; 11.424 98.55; 103; 105.39 | 683.61 | Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones. Organic letters, 2005, 7, 1211-1214 |
| 1506468 | CIF | C17 H15 N O4 | P -1 | 7.57; 9.27; 11.24 107.1; 102; 99.6 | 715 | Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones. Organic letters, 2005, 7, 1211-1214 |
| 1506469 | CIF | C24 H20 O4 | P -1 | 9.0452; 10.6117; 11.2674 67.639; 79.657; 84.959 | 983.7 | Xi, Chanjuan; Chen, Chao; Lin, Jie; Hong, Xiaoyin Pd-catalyzed one-pot multicomponent coupling reaction for the highly regioselective synthesis of polysubstituted benzenes. Organic letters, 2005, 7, 347-349 |
| 1506470 | CIF | C25 H27 N O3 S | P -1 | 8.5238; 15.83; 16.8 90.003; 90.0048; 90.098 | 2266.9 | Shimizu, Masamichi; Kimura, Masanari; Watanabe, Toshiya; Tamaru, Yoshinao Palladium-catalyzed allylation of imines with allyl alcohols. Organic letters, 2005, 7, 637-640 |
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