Crystallography Open Database
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| 1508772 | CIF | C20 H22 N4 O4 | I 41/a c d :2 | 17.6875; 17.6875; 26.5075 90; 90; 90 | 8292.8 | Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination. Organic letters, 2012, 14, 5944-5947 |
| 1508773 | CIF | C17 H21 N O4 | P 21 21 21 | 5.78493; 12.86729; 21.7765 90; 90; 90 | 1620.96 | Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids. Organic letters, 2012, 14, 5972-5975 |
| 1508774 | CIF | C18 H23 N O4 | P 21 21 21 | 5.9928; 12.5308; 22.425 90; 90; 90 | 1684 | Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids. Organic letters, 2012, 14, 5972-5975 |
| 1508775 | CIF | C25 H24 N2 O6 | P 21 21 21 | 9.6599; 10.661; 21.2315 90; 90; 90 | 2186.51 | Albertshofer, Klaus; Anderson, Kimberly E.; Barbas, 3rd, Carlos F Assembly of Spirooxindole Derivatives via Organocatalytic Iminium-Enamine Cascade Reactions. Organic letters, 2012, 14, 5968-5971 |
| 1508776 | CIF | C13 H15 N O | P 1 21/n 1 | 8.303; 11.685; 11.372 90; 101.556; 90 | 1081 | Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation. Organic letters, 2012, 14, 5796-5799 |
| 1508777 | CIF | C16 H15 N O | P 1 21/c 1 | 6.965; 9.91; 17.31 90; 90.631; 90 | 1195 | Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation. Organic letters, 2012, 14, 5796-5799 |
| 1508778 | CIF | C17 H18 Cl N O Si | P 1 21/c 1 | 17.129; 10.1809; 19.7805 90; 104.155; 90 | 3344.8 | Wong, Ying-Chieh; Tseng, Chen-Tso; Kao, Tzu-Ting; Yeh, Yu-Cheng; Shia, Kak-Shan Tandem Cyclization of α-Cyano α-Alkynyl Aryl Ketones Induced by tert-Butyl Hydroperoxide and Tetrabutylammonium Iodide. Organic letters, 2012, 14, 6024-6027 |
| 1508779 | CIF | C15 H13 I Se | P 21 21 21 | 8.6754; 14.638; 21.7393 90; 90; 90 | 2760.68 | Gai, Rafaela M.; Schumacher, Ricardo F.; Back, Davi F.; Zeni, Gilson Regioselective Formation of Tetrahydroselenophenes via 5-exo-dig-Cyclization of 1-Butylseleno-4-alkynes Organic Letters, 2012, 14, 6072-6075 |
| 1508780 | CIF | C20 H21 Br O4 | P -1 | 7.1334; 11.0837; 12.6786 65.718; 84.358; 78.742 | 895.98 | Miura, Takuya; Yadav, Navnath Dnyanoba; Iwasaki, Hiroki; Ozeki, Minoru; Kojima, Naoto; Yamashita, Masayuki Novel Skeleton Transformation Reaction of α-Pyrone Derivatives to Spirobicyclo[3.1.0]hexane Derivatives Using Dimethylsulfoxonium Methylide. Organic letters, 2012, 14, 6048-6051 |
| 1508781 | CIF | C29 H35 N O5 | P 1 21 1 | 8.7606; 9.588; 18.8582 90; 103.118; 90 | 1542.69 | Xu, Guo-Bo; Li, Li-Mei; Yang, Tao; Zhang, Guo-Lin; Li, Guo-You Chaetoconvosins A and B, Alkaloids with New Skeleton from Fungus Chaetomium convolutum. Organic letters, 2012, 14, 6052-6055 |
| 1508782 | CIF | C21 H19 N | P 1 21 1 | 8.9461; 8.981; 20.001 90; 90.115; 90 | 1606.98 | Qiu, Youai; Kong, Wangqing; Fu, Chunling; Ma, Shengming Carbazoles via AuCl(3)-Catalyzed Cyclization of 1-(Indol-2-yl)-3-alkyn-1-ols. Organic letters, 2012, 14, 6198-6201 |
| 1508783 | CIF | C14 H12 Br2 O2 | P -1 | 8.366; 8.94; 9.697 74.904; 80.91; 71.519 | 661.9 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508784 | CIF | C22 H20 Br2 O5 | C 1 2/c 1 | 31.646; 6.9207; 19.584 90; 102.15; 90 | 4193.1 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508785 | CIF | C23 H14 Br2 O | P -1 | 9.9684; 10.5486; 10.7325 109.747; 98.305; 112.538 | 931.1 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508786 | CIF | C19 H15 N O4 | P 21 21 21 | 7.6981; 10.9144; 19.206 90; 90; 90 | 1613.7 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508787 | CIF | C19 H17 N O5 | P 1 21/c 1 | 8.7664; 8.7325; 22.469 90; 91.846; 90 | 1719.2 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508788 | CIF | C20 H16 Br2 Cl3 N O5 | C 1 2/c 1 | 25.297; 11.5939; 16.0976 90; 93.893; 90 | 4710.4 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508789 | CIF | C19 H17 N O5 | P 1 21/c 1 | 8.0757; 6.151; 33.116 90; 92.33; 90 | 1643.6 | Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine. Organic letters, 2012, 14, 6060-6063 |
| 1508790 | CIF | C22 H22 N2 O4 | P 1 21/c 1 | 12.934; 8.1387; 17.792 90; 94.906; 90 | 1866 | Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J. Total syntheses of kealiinines a-C. Organic letters, 2012, 14, 6210-6213 |
| 1508791 | CIF | C20 H18 N2 O3 | P 1 21/c 1 | 8.336; 13.411; 15.707 90; 112.944; 90 | 1617 | Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J. Total syntheses of kealiinines a-C. Organic letters, 2012, 14, 6210-6213 |
| 1508792 | CIF | C24 H24 F3 N3 O6 | P -1 | 10.371; 11.751; 20.714 95.766; 90.808; 104.77 | 2426.6 | Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J. Total syntheses of kealiinines a-C. Organic letters, 2012, 14, 6210-6213 |
| 1508793 | CIF | C16 H13 N O2 | P 1 21/n 1 | 8.182; 10.6061; 13.7522 90; 90.956; 90 | 1193.2 | Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites. Organic letters, 2012, 14, 6122-6125 |
| 1508794 | CIF | C25 H22 N2 O2 | P -1 | 8.5967; 10.5041; 12.0568 73.286; 75.763; 82.041 | 1008.02 | Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites. Organic letters, 2012, 14, 6122-6125 |
| 1508795 | CIF | C35 H30 Cl2 N2 O | C 1 2/c 1 | 28.121; 9.598; 23.181 90; 116.64; 90 | 5592 | Zhang, Li; Li, Zhiming; Fan, Renhua 1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles. Organic letters, 2012, 14, 6076-6079 |
| 1508796 | CIF | C18 H17 N O5 | P 1 21/n 1 | 12.402; 8.869; 14.271 90; 98.761; 90 | 1551.4 | Ito, Yoshikatsu; Horie, Souta; Shindo, Yasuhiro Photodimerization ofN-[(E)-3,4-Methylenedioxycinnamoyl]dopamine in the Solid State Organic Letters, 2012, 14, 5812 |
| 1508797 | CIF | C27 H22 Cl N O4 | P 43 | 12.7827; 12.7827; 13.7419 90; 90; 90 | 2245.4 | He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization. Organic letters, 2012, 14, 6230-6233 |
| 1508798 | CIF | C23 H24 Cl N O4 | P 1 21/c 1 | 8.9427; 24.682; 9.8606 90; 97.843; 90 | 2156.1 | He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization. Organic letters, 2012, 14, 6230-6233 |
| 1508799 | CIF | C37 H32 N2 O2 S | P 1 21/n 1 | 16.1421; 10.9109; 18.5908 90; 113.887; 90 | 2993.8 | Jiang, Zheng; Lu, Ping; Wang, Yanguang Three-component reaction of propargyl amines, sulfonyl azides, and alkynes: one-pot synthesis of tetrasubstituted imidazoles. Organic letters, 2012, 14, 6266-6269 |
| 1508800 | CIF | C9 H15 I O2 | P 21 21 21 | 6.173; 10.624; 16.08 90; 90; 90 | 1054.6 | Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F. Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst. Organic letters, 2012, 14, 6290-6293 |
| 1508801 | CIF | C11 H11 I O2 | P 1 21 1 | 8.3841; 12.058; 10.8793 90; 102.835; 90 | 1072.4 | Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F. Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst. Organic letters, 2012, 14, 6290-6293 |
| 1508802 | CIF | C30 H33 N7 O10 | P 1 21/c 1 | 9.394; 15.3467; 21.3416 90; 106.931; 90 | 2943.39 | Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz "Unclosed cryptands": a point of departure for developing potent neutral anion receptors. Organic letters, 2012, 14, 6298-6301 |
| 1508803 | CIF | C30 H31 N7 O8 S | C 1 2/c 1 | 24.763; 10.2635; 25.5165 90; 105.321; 90 | 6254.7 | Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz "Unclosed cryptands": a point of departure for developing potent neutral anion receptors. Organic letters, 2012, 14, 6298-6301 |
| 1508804 | CIF | C53 H47 Cl4 Ir N2 O9 P2 | P 1 21 1 | 14.5855; 10.4295; 16.8508 90; 101.441; 90 | 2512.4 | Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J. Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes. Organic letters, 2012, 14, 6302-6305 |
| 1508805 | CIF | C48 H32 Cl4 Ir N2 O6 P2 | P 21 21 21 | 11.849; 17.116; 22.974 90; 90; 90 | 4659.3 | Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J. Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes. Organic letters, 2012, 14, 6302-6305 |
| 1508806 | CIF | C51 H42 Cl4 Ir N O9 P2 | P 21 21 21 | 12.0018; 17.5679; 21.824 90; 90; 90 | 4601.5 | Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J. Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes. Organic letters, 2012, 14, 6302-6305 |
| 1508807 | CIF | C22 H27 N O7 | P 21 21 21 | 8.8732; 9.6183; 25.3162 90; 90; 90 | 2160.61 | Li, Meiling; Datta, Swarup; Barber, David M.; Dixon, Darren J. Dual amine and palladium catalysis in diastereo- and enantioselective allene carbocyclization reactions. Organic letters, 2012, 14, 6350-6353 |
| 1508808 | CIF | C15 H29 N O3 Si | P 1 | 6.8088; 8.1381; 32.921 90; 90; 90 | 1824.2 | Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA) Organic Letters, 2012, 14, 6222-6225 |
| 1508809 | CIF | C24 H18 N2 O | P 1 21/c 1 | 6.713; 20.949; 13.223 90; 100.98; 90 | 1825.5 | Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones. Organic letters, 2012, 14, 6358-6361 |
| 1508810 | CIF | C20 H18 N2 O2 | P 1 21/c 1 | 8.936; 7.703; 23.997 90; 100.239; 90 | 1625.5 | Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones. Organic letters, 2012, 14, 6358-6361 |
| 1508811 | CIF | C30 H44 O5 | P 21 21 21 | 7.267; 17.0474; 21.466 90; 90; 90 | 2659.28 | Liang, Cheng-Qin; Shi, Yi-Ming; Luo, Rong-Hua; Li, Xing-Yao; Gao, Zhong-Hua; Li, Xiao-Nian; Yang, Liu-Meng; Shang, Shan-Zhai; Li, Yan; Zheng, Yong-Tang; Zhang, Hong-Bin; Xiao, Wei-Lie; Sun, Han-Dong Kadcoccitones A and B, Two New 6/6/5/5-Fused Tetracyclic Triterpenoids from Kadsura coccinea. Organic letters, 2012, 14, 6362-6365 |
| 1508812 | CIF | C13 H14 F3 N O3 S | P 1 21/c 1 | 5.2452; 27.662; 9.8539 90; 101.11; 90 | 1402.9 | Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K. Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts. Organic letters, 2012, 14, 6370-6373 |
| 1508813 | CIF | C13 H13 F3 N2 O5 S | P 1 21 1 | 11.2358; 12.4002; 11.5916 90; 109.454; 90 | 1522.8 | Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K. Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts. Organic letters, 2012, 14, 6370-6373 |
| 1508814 | CIF | C13 H13 F3 N2 O5 S | P 21 21 21 | 5.0772; 14.0415; 20.6933 90; 90; 90 | 1475.26 | Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K. Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts. Organic letters, 2012, 14, 6370-6373 |
| 1516057 | CIF | C26 H15 Mo O5 P | P 1 21 1 | 17.039; 6.2992; 21.025 90; 97.831; 90 | 2235.6 | Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975 |
| 1516058 | CIF | C26 H16 Cl O6 P W | P 1 21/c 1 | 18.4823; 9.4251; 15.2278 90; 114.313; 90 | 2417.38 | Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975 |
| 1516059 | CIF | C26 H16 Cl O6 P W | P 1 21/n 1 | 8.1251; 12.1902; 25.1571 90; 90.472; 90 | 2491.6 | Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois A new route to a 2-phosphanaphthalene. Organic letters, 2012, 14, 4974-4975 |
| 1516060 | CIF | C16 H20 N2 O3 | P n a 21 | 40.076; 5.5575; 13.021 90; 90; 90 | 2900.1 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
| 1516061 | CIF | C17 H22 N2 O3 | P b c a | 9.5653; 10.45; 30.655 90; 90; 90 | 3064.2 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
| 1516062 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 10.604; 10.38; 13.204 90; 95.551; 90 | 1446.5 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
| 1516063 | CIF | C12 H12 N2 O2 | P 1 21/c 1 | 6.4277; 10.169; 15.7788 90; 95.698; 90 | 1026.26 | Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams. Organic letters, 2012, 14, 4846-4849 |
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