Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1504253 | CIF | C13 H12 N4 | P b c a | 17.055; 6.187; 22.305 90; 90; 90 | 2353.6 | Lee, Sanghee; Park, Seung Bum An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening. Organic letters, 2009, 11, 5214-5217 |
| 1504254 | CIF | C57 H78 N6 O11 S4 Zn | P -1 | 6.939; 18.93; 24.814 98.577; 92.11; 94.993 | 3206.7 | Castilla, Ana M.; Curreli, Simona; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez; Benet-Buchholz, Jordi; Kleij, Arjan W. Modular synthesis of heterobimetallic salen structures using metal templation. Organic letters, 2009, 11, 5218-5221 |
| 1504255 | CIF | C64 H78 Cl2 N6 Ni O12 Pd S4 | P -1 | 11.3134; 15.5617; 20.9829 77.205; 88.031; 69.344 | 3367 | Castilla, Ana M.; Curreli, Simona; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez; Benet-Buchholz, Jordi; Kleij, Arjan W. Modular synthesis of heterobimetallic salen structures using metal templation. Organic letters, 2009, 11, 5218-5221 |
| 1504256 | CIF | C24 H27 I N2 O3 Zn | P 1 21/c 1 | 17.0937; 16.8043; 19.5183 90; 90.552; 90 | 5606.3 | Long, Jiang; Xu, Liang; Du, Haifeng; Li, Kai; Shi, Yian Mechanistic studies on a dipeptide-promoted asymmetric cyclopropanation of unfunctionalized olefins. Organic letters, 2009, 11, 5226-5229 |
| 1504257 | CIF | C24 H24 N2 S Si2 | P 1 21/c 1 | 11.17; 31.41; 6.923 90; 103.83; 90 | 2359 | Appleton, Anthony Lucas; Miao, Shaobin; Brombosz, Scott M.; Berger, Nancy J.; Barlow, Stephen; Marder, Seth R.; Lawrence, Brian M.; Hardcastle, Kenneth I.; Bunz, Uwe H. F. Alkynylated aceno[2,1,3]thiadiazoles. Organic letters, 2009, 11, 5222-5225 |
| 1504258 | CIF | C30 H36 N2 S Si2 | P 1 21/n 1 | 6.9544; 34.474; 11.839 90; 90.203; 90 | 2838.3 | Appleton, Anthony Lucas; Miao, Shaobin; Brombosz, Scott M.; Berger, Nancy J.; Barlow, Stephen; Marder, Seth R.; Lawrence, Brian M.; Hardcastle, Kenneth I.; Bunz, Uwe H. F. Alkynylated aceno[2,1,3]thiadiazoles. Organic letters, 2009, 11, 5222-5225 |
| 1504259 | CIF | C19 H18 O5 | P 1 21/c 1 | 9.5067; 19.416; 17.54 90; 104.01; 90 | 3141.3 | Liang, Zhidan; Hou, Weizhe; Du, Yunfei; Zhang, Yongliang; Pan, Yan; Mao, Deng; Zhao, Kang Oxidative aromatic C-O bond formation: synthesis of 3-functionalized benzo[b]furans by FeCl3-mediated ring closure of alpha-aryl ketones. Organic letters, 2009, 11, 4978-4981 |
| 1504260 | CIF | C24 H27 N O6 | P 1 21/c 1 | 9.1287; 17.9478; 13.3841 90; 105.166; 90 | 2116.5 | Brailsford, John A.; Lauchli, Ryan; Shea, Kenneth J. Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction. Organic letters, 2009, 11, 5330-5333 |
| 1504261 | CIF | C33 H47 N O7 Si | P -1 | 9.0274; 14.0533; 26.6612 87.697; 85.06; 71.596 | 3197.1 | Brailsford, John A.; Lauchli, Ryan; Shea, Kenneth J. Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction. Organic letters, 2009, 11, 5330-5333 |
| 1504262 | CIF | C60 H40 | C 1 2/c 1 | 25.789; 10.154; 15.75 90; 112.458; 90 | 3812 | Mahlokozera, Tatenda; Goods, John B.; Childs, Adam M.; Thamattoor, Dasan M. Crystal structure of a cyclotetramer from a strained cyclic allene. Organic letters, 2009, 11, 5095-5097 |
| 1504263 | CIF | C54 H32 N6 Ni O6 S6 | P -1 | 12.9225; 15.4857; 17.3378 109.715; 96.989; 94.173 | 3217.8 | Colquhoun, Howard M.; Greenland, Barnaby W.; Zhu, Zhixue; Shaw, John S.; Cardin, Christine J.; Burattini, Stefano; Elliott, Joanne M.; Basu, Subhadeep; Gasa, Travis B.; Stoddart, J. Fraser A general synthesis of macrocyclic pi-electron-acceptor systems. Organic letters, 2009, 11, 5238-5241 |
| 1504264 | CIF | C21 H20 Br N O4 | C 1 2 1 | 17.9311; 10.112; 22.4591 90; 101.184; 90 | 3994.9 | Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation. Organic letters, 2009, 11, 5246-5249 |
| 1504265 | CIF | C21 H20 Br N O4 | P 21 21 21 | 5.8261; 11.6473; 28.0478 90; 90; 90 | 1903.3 | Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation. Organic letters, 2009, 11, 5246-5249 |
| 1504266 | CIF | C21 H21 N O4 | P 1 21 1 | 12.2127; 6.0204; 13.4972 90; 112.925; 90 | 914 | Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation. Organic letters, 2009, 11, 5246-5249 |
| 1504267 | CIF | C21 H21 N O4 | P 1 21/c 1 | 7.7034; 23.256; 10.1217 90; 91.325; 90 | 1812.8 | Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation. Organic letters, 2009, 11, 5246-5249 |
| 1504268 | CIF | C25 H16 O5 | P 1 21/c 1 | 8.545; 20.367; 11.172 90; 102.078; 90 | 1901.3 | Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins. Organic letters, 2009, 11, 5254-5257 |
| 1504269 | CIF | C24 H16 N2 O4 | P 1 21/c 1 | 15.538; 7.301; 16.871 90; 98.46; 90 | 1893.1 | Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins. Organic letters, 2009, 11, 5254-5257 |
| 1504270 | CIF | C27 H24.26 Cl2.74 F N2 Ni O4 | P 21 21 21 | 10.9019; 13.4448; 18.6462 90; 90; 90 | 2733 | Kim, Hyunwoo; Chin, Jik Stereospecific synthesis of alpha-substituted syn-alpha,beta-diamino acids by the diaza-Cope rearrangement. Organic letters, 2009, 11, 5258-5260 |
| 1504271 | CIF | C36 H37 Cl O5 | R -3 :H | 30.1433; 30.1433; 18.809 90; 90; 120 | 14801 | Zhu, Zhi-Bin; Shi, Min Palladium(II) acetate catalyzed tandem cycloisomerization and oxidation of arylvinylcyclopropenes using p-benzoquinone as oxidant and pro-nucleophile. Organic letters, 2009, 11, 5278-5281 |
| 1504272 | CIF | C73 H98 Cl2 N O7 P | P 21 21 21 | 13.662; 20.5772; 24.4019 90; 90; 90 | 6860 | Herbert, Simon A.; Arnott, Gareth E. An asymmetric ortholithiation approach to inherently chiral calix[4]arenes. Organic letters, 2009, 11, 4986-4989 |
| 1504273 | CIF | C57 H56 Cl2 N10 O5 | P 1 21/c 1 | 12.432; 21.192; 19.724 90; 106.37; 90 | 4986 | Xue, Min; Chen, Chuan-Feng Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state. Organic letters, 2009, 11, 5294-5297 |
| 1504274 | CIF | C10 H10 Cl2 N10 O | C 1 2/c 1 | 26.903; 19.366; 27.68 90; 112.55; 90 | 13319 | Xue, Min; Chen, Chuan-Feng Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state. Organic letters, 2009, 11, 5294-5297 |
| 1504275 | CIF | C59.27 H41.16 Cl3.61 N8 O9.57 | C 1 2/c 1 | 24.262; 27.241; 16.704 90; 102.147; 90 | 10793 | Xue, Min; Chen, Chuan-Feng Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state. Organic letters, 2009, 11, 5294-5297 |
| 1504276 | CIF | C50 H38 Cl2 N10 O5 | P -1 | 15.098; 15.275; 15.443 67.68; 61.26; 75.64 | 2879.4 | Xue, Min; Chen, Chuan-Feng Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state. Organic letters, 2009, 11, 5294-5297 |
| 1504277 | CIF | C15 H16 I N O3 | P 21 21 21 | 4.9426; 12.8163; 23.5105 90; 90; 90 | 1489.29 | Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R. Total synthesis of the putative structure of lucentamycin A. Organic letters, 2009, 11, 5298-5301 |
| 1504278 | CIF | C23 H41 Cl N2 O5 | P 32 | 13.3942; 13.3942; 27.3937 90; 90; 120 | 4256.1 | Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R. Total synthesis of the putative structure of lucentamycin A. Organic letters, 2009, 11, 5298-5301 |
| 1504279 | CIF | C15 H20 O2 | P 32 2 1 | 7.68; 7.68; 37.274 90; 90; 120 | 1904 | Magauer, Thomas; Mulzer, Johann; Tiefenbacher, Konrad Total syntheses of (+)-echinopine A and B: determination of absolute stereochemistry. Organic letters, 2009, 11, 5306-5309 |
| 1504280 | CIF | C18 H20 N8 O2 S2 | P n a 21 | 13.075; 16.85; 9.3 90; 90; 90 | 2049 | Avasthi, Kamlakar; Ansari, Amantullah; Tewari, Ashish K.; Kant, Ruchir; Maulik, Prakas R. Pyrazolo[3,4-d]pyrimidinophanes: convenient synthesis of a new class of cyclophane and X-ray structure of the first representative. Organic letters, 2009, 11, 5290-5293 |
| 1504281 | CIF | C60 H44 Br4 Cl6 N2 O4 | P 1 21/a 1 | 18.099; 8.285; 19.042 90; 105.218; 90 | 2755.2 | Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis. Organic letters, 2009, 11, 5426-5429 |
| 1504282 | CIF | C66 H48 F12 N4 O4 | P 1 21/c 1 | 18.3251; 8.2876; 18.7323 90; 103.654; 90 | 2764.5 | Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis. Organic letters, 2009, 11, 5426-5429 |
| 1504283 | CIF | C34 H34.36 Cl2.64 N3 O2 | P -1 | 9.294; 10.196; 18.474 85.694; 83.861; 66.29 | 1592.7 | Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis. Organic letters, 2009, 11, 5426-5429 |
| 1504284 | CIF | C76 H86 F12 N6 O18 S4 | P -1 | 6.815; 14.674; 20.572 70.543; 80.424; 84.6 | 1911 | Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis. Organic letters, 2009, 11, 5426-5429 |
| 1504285 | CIF | C87 H112 N6 O4 Zn | P 1 21/c 1 | 16.5956; 34.837; 14.5206 90; 115.729; 90 | 7562.7 | Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro meso,meso'-Bis(5-azaindol-2-yl)-appended meso-meso-linked Zn(II) diporphyrin: a discrete fluorescent assembly. Organic letters, 2009, 11, 5322-5325 |
| 1504286 | CIF | C16 H20 O6 | P 21 21 21 | 9.3413; 10.0343; 16.9972 90; 90; 90 | 1593.21 | Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U. Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones. Organic letters, 2009, 11, 5466-5469 |
| 1504287 | CIF | C7 H8 O4 | P 21 21 21 | 6.1758; 9.0571; 12.9827 90; 90; 90 | 726.19 | Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U. Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones. Organic letters, 2009, 11, 5466-5469 |
| 1504288 | CIF | C15 H16 O4 | P 1 21 1 | 5.0129; 8.5049; 15.8364 90; 93.115; 90 | 674.17 | Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U. Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones. Organic letters, 2009, 11, 5466-5469 |
| 1504289 | CIF | C18 H16 O3 | P -1 | 8.7638; 8.8421; 10.0304 74.58; 86.829; 67.601 | 691.83 | Lee, Doris; Newman, Stephen G.; Taylor, Mark S. Boron-catalyzed direct aldol reactions of pyruvic acids. Organic letters, 2009, 11, 5486-5489 |
| 1504290 | CIF | C28 H32 N2 O3 | P b c a | 12.587; 12.897; 30.669 90; 90; 90 | 4979 | Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes. Organic letters, 2009, 11, 5642-5645 |
| 1504291 | CIF | C24 H22 N2 O2 | P -1 | 8.132; 9.139; 13.34 95.4; 90.65; 91.62 | 987 | Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes. Organic letters, 2009, 11, 5642-5645 |
| 1504292 | CIF | C22 H25 N O4 S | P 21 21 2 | 36.79; 10.2861; 10.833 90; 90; 90 | 4099.5 | Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes. Organic letters, 2009, 11, 5642-5645 |
| 1504293 | CIF | C11 H20 O2 | P -1 | 8.6882; 14.998; 15.059 117.59; 93.7; 98.17 | 1702.4 | Jones, Ian L.; Moore, Felicity K.; Chai, Christina L. L. Total synthesis of (+/-)-cordypyridones A and B and related epimers. Organic letters, 2009, 11, 5526-5529 |
| 1504294 | CIF | C18 H14 Cl N O | P 21 21 21 | 7.621; 8.393; 22.728 90; 90; 90 | 1453.8 | He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization. Organic letters, 2009, 11, 5626-5628 |
| 1504295 | CIF | C16.5 H19 Cl3 N2 O Pd | P 1 21 1 | 9.712; 20.705; 9.816 90; 108.77; 90 | 1868.9 | He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization. Organic letters, 2009, 11, 5626-5628 |
| 1504296 | CIF | C20 H29 N O3 | P 1 21 1 | 6.872; 9.187; 15.595 90; 97.384; 90 | 976.4 | Wang, Xia-Chang; Zheng, Zong-Ping; Gan, Xian-Wen; Hu, Li-Hong Jatrophalactam, a novel diterpenoid lactam isolated from Jatropha curcas. Organic letters, 2009, 11, 5522-5524 |
| 1504297 | CIF | C16 H11 N3 O3 | C 1 2/c 1 | 21.754; 8.501; 14.483 90; 102.299; 90 | 2616.9 | Yi, Chenyi; Liu, Shi-Xia; Neels, Antonia; Renaud, Philippe; Decurtins, Silvio Preparation of zwitterionic hydroquinone-fused [1,4]oxazinium derivatives via a photoinduced intramolecular dehydrogenative-coupling reaction. Organic letters, 2009, 11, 5530-5533 |
| 1504298 | CIF | C14 H12 N4 O4 | P -1 | 8.0209; 8.5834; 10.689 94.192; 104.4; 104.893 | 681.4 | Yi, Chenyi; Liu, Shi-Xia; Neels, Antonia; Renaud, Philippe; Decurtins, Silvio Preparation of zwitterionic hydroquinone-fused [1,4]oxazinium derivatives via a photoinduced intramolecular dehydrogenative-coupling reaction. Organic letters, 2009, 11, 5530-5533 |
| 1504299 | CIF | C10 H7 Br N4 O2 | P n a 21 | 10.595; 7.426; 13.938 90; 90; 90 | 1096.6 | Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines. Organic letters, 2009, 11, 5502-5505 |
| 1504300 | CIF | C10 H9 Br N4 | P 1 21/n 1 | 8.638; 6.38; 18.833 90; 94.2; 90 | 1035.1 | Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines. Organic letters, 2009, 11, 5502-5505 |
| 1504301 | CIF | C16 H19 Br N4 O | P -1 | 7.538; 10.542; 12.044 98.908; 102.359; 109.915 | 851.5 | Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines. Organic letters, 2009, 11, 5502-5505 |
| 1504302 | CIF | C32 H43 Br Cl3 N O Si | P 21 21 21 | 10.2195; 13.6892; 23.5232 90; 90; 90 | 3290.8 | Dunn, Travis B.; Ellis, J. Michael; Kofink, Christiane C.; Manning, James R.; Overman, Larry E. Asymmetric construction of rings A-D of daphnicyclidin-type alkaloids. Organic letters, 2009, 11, 5658-5661 |
| 1504303 | CIF | C28 H24 N4 O4 S | P 1 21/n 1 | 9.0058; 13.1391; 21.485 90; 93.277; 90 | 2538.1 | Hong, Deng; Lin, Xufeng; Zhu, Yuanxun; Lei, Ming; Wang, Yanguang Copper-catalyzed tandem nucleophilic ring-opening/intramolecular oxidative amidation of N-tosylaziridines and hydrazones under aerobic conditions. Organic letters, 2009, 11, 5678-5681 |
| 1504304 | CIF | C16 H19 N O3 | P 21 21 21 | 6.2054; 10.304; 21.8082 90; 90; 90 | 1394.43 | Presset, Marc; Coquerel, Yoann; Rodriguez, Jean Microwave-assisted domino and multicomponent reactions with cyclic acylketenes: expeditious syntheses of oxazinones and oxazindiones. Organic letters, 2009, 11, 5706-5709 |
| 1504305 | CIF | C19 H21 N O6 | P 1 21 1 | 9.293; 8.065; 11.846 90; 92.98; 90 | 886.6 | McGarraugh, Patrick G.; Brenner, Stacey E. A new organocatalyzed Michael-Michael cascade reaction generates highly substituted fused carbocycles. Organic letters, 2009, 11, 5654-5657 |
| 1504306 | CIF | C30 H55 N O4 Si | P 21 21 21 | 9.5398; 10.677; 30.01 90; 90; 90 | 3056.7 | Nakayama, Atsushi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu First asymmetric total syntheses of fawcettimine-type Lycopodium alkaloids, lycoposerramine-C and phlegmariurine-A. Organic letters, 2009, 11, 5554-5557 |
| 1504307 | CIF | C27 H26 Br2 N2 O6 S2 | P -1 | 11.298; 11.271; 12.235 74.563; 72.728; 72.866 | 1394.2 | Shen, Ruwei; Huang, Xian Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines. Organic letters, 2009, 11, 5698-5701 |
| 1504308 | CIF | C20 H19 Br2 N O5 S | P -1 | 7.1285; 11.5022; 13.676 98.695; 90.13; 101.33 | 1086.3 | Shen, Ruwei; Huang, Xian Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines. Organic letters, 2009, 11, 5698-5701 |
| 1504309 | CIF | C27 H27 Br3 N2 O6 S2 | P 1 21/n 1 | 7.7972; 17.906; 22.658 90; 94.622; 90 | 3153.1 | Shen, Ruwei; Huang, Xian Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines. Organic letters, 2009, 11, 5698-5701 |
| 1504310 | CIF | C17 H16 N2 O5 | P 1 21/c 1 | 9.6975; 17.478; 9.6297 90; 93.354; 90 | 1629.4 | Gou, Fa-Rong; Wang, Xiang-Chuan; Huo, Peng-Fei; Bi, Hai-Peng; Guan, Zheng-Hui; Liang, Yong-Min Palladium-catalyzed aryl C-H bonds activation/acetoxylation utilizing a bidentate system. Organic letters, 2009, 11, 5726-5729 |
| 1504311 | CIF | C13 H12 Cl F3 O3 | P 21 21 21 | 6.7916; 8.2807; 23.6999 90; 90; 90 | 1332.86 | Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex. Organic letters, 2009, 11, 5714-5716 |
| 1504312 | CIF | C13 H12 Br F3 O3 | P 21 21 21 | 6.8098; 8.2633; 23.9486 90; 90; 90 | 1347.62 | Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex. Organic letters, 2009, 11, 5714-5716 |
| 1504313 | CIF | Ba Fe2 Se3 | P n m a | 11.9996; 5.4711; 9.2156 90; 90; 90 | 605 | Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T. Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3} Physical Review B, 2011, 84, 180409 |
| 1504314 | CIF | Ba Fe2 Se3 | P n m a | 11.88345; 5.41411; 9.14086 90; 90; 90 | 588.11 | Caron, J.; Neilson, J.; Miller, D.; Llobet, A.; McQueen, T. Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe_{2}Se_{3} Physical Review B, 2011, 84, 180409 |
| 1504315 | CIF | C28 H25 N3 O5 S | P 21 21 21 | 9.0929; 12.3452; 22.031 90; 90; 90 | 2473.1 | Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Jadhav, Harishchandra S.; Saini, Manmeet B.; Aher, Umesh P. A Novel Method for Large-Scale Synthesis of Lamivudine through Cocrystal Formation of Racemic Lamivudine with (S)-(−)-1,1′-Bi(2-naphthol) [(S)-(BINOL)] Organic Process Research & Development, 2009, 13, 450 |
| 1504316 | CIF | C9 H9 N O3 | P b c a | 16.163; 8.953; 22.95 90; 90; 90 | 3321 | Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O. Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist† Organic Process Research & Development, 2009, 13, 198 |
| 1504317 | CIF | C9 H9 N O3 | C 1 2/c 1 | 16.038; 14.67; 15.634 90; 116.362; 90 | 3296 | Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O. Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist† Organic Process Research & Development, 2009, 13, 198 |
| 1504318 | CIF | C21 H33 N O7 S | P 21 21 21 | 6.0017; 12.0689; 29.9339 90; 90; 90 | 2168.23 | Kopach, Michael E.; Singh, Utpal K.; Kobierski, Michael E.; Trankle, William G.; Murray, Michael M.; Pietz, Mark A.; Forst, Mindy B.; Stephenson, Gregory A.; Mancuso, Vincent; Giard, Thierry; Vanmarsenille, Michel; DeFrance, Thierry Practical Synthesis of Chiral 2-Morpholine: (4-Benzylmorpholin-2-(S)-yl)-(tetrahydropyran-4-yl)methanone Mesylate, a Useful Pharmaceutical Intermediate Organic Process Research & Development, 2009, 13, 209 |
| 1504319 | CIF | C9 H10 Cl N O | P b c a | 9.4251; 9.2575; 20.1686 90; 90; 90 | 1759.77 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504320 | CIF | C11 H14 Cl N O | P b c a | 9.7381; 10.0151; 22.9501 90; 90; 90 | 2238.28 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504321 | CIF | C11 H15 N O | C 1 2/c 1 | 42.887; 5.1367; 19.263 90; 108.372; 90 | 4027.3 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504322 | CIF | C7 H6 Br N O | P 1 21/c 1 | 9.1595; 11.8459; 6.6063 90; 93.952; 90 | 715.1 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504323 | CIF | C7 H6 Br N O | P b c a | 10.848; 9.8017; 13.5375 90; 90; 90 | 1439.43 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504324 | CIF | C8 H6 F3 N O | P -1 | 7.1142; 10.3129; 12.2349 77.686; 79.631; 70.525 | 821.03 | Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L. Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?† Organic Process Research & Development, 2009, 13, 1231 |
| 1504325 | CIF | C57 H66 Cl2 O7 | P -1 | 11.303; 12.251; 21.395 75.7; 79.57; 62.73 | 2543.8 | Tian, Xiao-Hong; Chen, Chuan-Feng Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes. Organic letters, 2010, 12, 524-527 |
| 1504326 | CIF | C6 H25 B18 Co O | P 1 21/n 1 | 6.9172; 11.976; 22.298 90; 96.277; 90 | 1836.1 | Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates. Bioconjugate chemistry, 2008, 19, 2171-2181 |
| 1504327 | CIF | C62 H71 B18 Co N6 O3 | P -1 | 14.488; 15.269; 15.85 66.662; 76.501; 83.995 | 3130.2 | Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates. Bioconjugate chemistry, 2008, 19, 2171-2181 |
| 1504328 | CIF | C44 H75 B18 Co N4 O2 | P -1 | 11.14; 15.492; 16.413 64.83; 87.51; 84.12 | 2550 | Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates. Bioconjugate chemistry, 2008, 19, 2171-2181 |
| 1504329 | CIF | C20 H24 N2 O3 | P 1 21/n 1 | 9.2494; 16.5966; 24.0869 90; 100.324; 90 | 3637.7 | Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry, 2008, 10, 327 |
| 1504330 | CIF | C24 H26 N2 O3 S | P 1 21/n 1 | 14.6152; 8.5366; 17.6486 90; 103.961; 90 | 2136.87 | Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry, 2008, 10, 327 |
| 1504331 | CIF | C19 H26 F3 N O2 | P 1 21/c 1 | 8.2115; 24.22; 10.234 90; 109.503; 90 | 1918.6 | Mao, Shuli; Probst, Donald; Werner, Stefan; Chen, Jianzhong; Xie, Xiangqun; Brummond, Kay M. Diverging Rh(I)-Catalyzed Carbocylization Strategy to Prepare a Library of Unique Cyclic Ethers Journal of Combinatorial Chemistry, 2008, 10, 235 |
| 1504332 | CIF | C25 H21 N O5 | P 1 21/n 1 | 7.2833; 18.243; 15.361 90; 100.865; 90 | 2004.4 | Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry, 2008, 10, 381 |
| 1504333 | CIF | C27 H26 N2 O5 | P 1 21/n 1 | 11.0623; 14.4745; 14.5087 90; 94.796; 90 | 2315 | Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry, 2008, 10, 381 |
| 1504334 | CIF | C17 H26 N4 O3 | P b c a | 10.2548; 17.3996; 21.2408 90; 90; 90 | 3790 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 595 |
| 1504335 | CIF | C25 H26 Cl2 N2 O2 | P -1 | 7.7322; 8.2825; 18.0011 77.605; 81.459; 85.056 | 1111.71 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504336 | CIF | C14 H23 N O2 | P -1 | 5.2318; 8.6863; 13.9249 77.485; 81.316; 82.478 | 607.53 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504337 | CIF | C18 H20 N2 O | P 1 21/c 1 | 19.3878; 5.1046; 14.4014 90; 109.734; 90 | 1341.56 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504338 | CIF | C21 H26 F N3 O2 S | P 1 21/n 1 | 8.6512; 15.214; 17.0046 90; 95.071; 90 | 2229.4 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid; Khavasi, Hamid Reza Novel Isocyanide-Based Three-Component One-Pot Synthesis of Cyanophenylamino-acetamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 883 |
| 1504339 | CIF | C46 H32 N2 | P 1 21/c 1 | 4.6343; 14.097; 23.29 90; 95.506; 90 | 1514.5 | Tan, Xiaoli; Fenniri, Hicham; Gray, Murray R. Pyrene Derivatives of 2,2′-Bipyridine as Models for Asphaltenes: Synthesis, Characterization, and Supramolecular Organization† Energy & Fuels, 2008, 22, 715 |
| 1504340 | CIF | C11 H13 N5 | P -1 | 8.5639; 8.7313; 9.1486 107.85; 99.4; 111.59 | 575.2 | Schneider, Stefan; Hawkins, Tommy; Rosander, Michael; Vaghjiani, Ghanshyam; Chambreau, Steven; Drake, Gregory Ionic Liquids as Hypergolic Fuels Energy & Fuels, 2008, 22, 2871 |
| 1504341 | CIF | C21 H34 N2 O3 | C 1 2 1 | 19.155; 5.871; 19.432 90; 96.031; 90 | 2173.2 | Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management. Journal of medicinal chemistry, 2008, 51, 392-395 |
| 1504342 | CIF | C20 H15 Cl N2 O5 | P 21 21 21 | 5.3438; 10.7546; 32.137 90; 90; 90 | 1846.9 | Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. Journal of medicinal chemistry, 2008, 51, 2227-2243 |
| 1504343 | CIF | C20 H14 Cl F N2 O5 | P 21 21 21 | 5.32926; 10.77905; 31.3253 90; 90; 90 | 1799.46 | Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. Journal of medicinal chemistry, 2008, 51, 2227-2243 |
| 1504344 | CIF | C19 H19 Cl2 N3 O3 | P -1 | 9.12; 10.251; 11.299 71.757; 74.66; 80.836 | 964.1 | Magedov, Igor V.; Manpadi, Madhuri; Ogasawara, Marcia A.; Dhawan, Adriana S.; Rogelj, Snezna; Van Slambrouck, Severine; Steelant, Wim F. A.; Evdokimov, Nikolai M.; Uglinskii, Pavel Y.; Elias, Eerik M.; Knee, Erica J.; Tongwa, Paul; Antipin, Mikhail Yu; Kornienko, Alexander Structural simplification of bioactive natural products with multicomponent synthesis. 2. antiproliferative and antitubulin activities of pyrano[3,2-c]pyridones and pyrano[3,2-c]quinolones. Journal of medicinal chemistry, 2008, 51, 2561-2570 |
| 1504345 | CIF | C21 H23 N3 O2 | P -1 | 7.9246; 8.7859; 28.0323 87.074; 85.771; 73.203 | 1862.5 | Diaz, Philippe; Xu, Jijun; Astruc-Diaz, Fanny; Pan, Hao-Min; Brown, David L.; Naguib, Mohamed Design and synthesis of a novel series of N-alkyl isatin acylhydrazone derivatives that act as selective cannabinoid receptor 2 agonists for the treatment of neuropathic pain. Journal of medicinal chemistry, 2008, 51, 4932-4947 |
| 1504346 | CIF | C19 H31 Cl3 N2 O | P 1 21 1 | 10.3558; 6.8232; 14.7816 90; 94.469; 90 | 1041.29 | Mahaney, Paige E.; Gavrin, Lori K.; Trybulski, Eugene J.; Stack, Gary P.; Vu, T. An; Cohn, Stephen T.; Ye, Fei; Belardi, Justin K.; Santilli, Arthur A.; Sabatucci, Joseph P.; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Leventhal, Liza; Koury, Elizabeth J.; Zhang, Yingru; Mugford, Cheryl A.; Ho, Douglas M.; Rosenzweig-Lipson, Sharon J; Platt, Brian; Smith, Valerie A.; Deecher, Darlene C. Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors. Journal of medicinal chemistry, 2008, 51, 4038-4049 |
| 1504347 | CIF | C17 H28 Cl2 N3 O P Ru | P 1 n 1 | 6.6343; 20.033; 15.188 90; 97.73; 90 | 2000.2 | Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds. Journal of medicinal chemistry, 2008, 51, 6773-6781 |
| 1504348 | CIF | C2 H4 Cl2 | P n m a | 7.7446; 9.3368; 5.8584 90; 90; 90 | 423.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504349 | CIF | C2 H4 Cl2 | P n m a | 7.8716; 9.404; 5.8862 90; 90; 90 | 435.72 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504350 | CIF | C2 H4 Cl2 | P n m a | 7.5572; 9.1829; 5.713 90; 90; 90 | 396.5 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504351 | CIF | C2 H4 Cl2 | P n m a | 7.3833; 9.0641; 5.6461 90; 90; 90 | 377.85 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504352 | CIF | C19 H6 Cl N6 O3 Re | P n m a | 9.841; 14.0813; 14.0276 90; 90; 90 | 1943.9 | Si, Z.; Li, J.; Li, B.; Hong, Z.; Liu, S.; Li, W. Electroluminescence from Singlet Excited-State of the Exciplex between (2,3-Dicarbonitrilopyrazino[2,3-f][1,10]phenanthroline)Re(CO)3Cl and CBP Journal of Physical Chemistry C, 2008, 112, 3920 |
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