Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1542654 | CIF | C17 H15 N O4 | P 21 21 21 | 5.9263; 14.358; 17.7263 90; 90; 90 | 1508.33 | Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo Anti-Selective Asymmetric Nitro-Michael Reaction of Furanones: Diastereocontrol by Catalyst. Organic letters, 2016, 18, 646-649 |
| 1542655 | CIF | C24 H26 N4 O4 | P -1 | 9.715; 10.003; 13.038 105.483; 98.771; 111.44 | 1091.5 | Zhao, Hong-Wu; Li, Bo; Pang, Hai-Liang; Tian, Ting; Chen, Xiao-Qin; Song, Xiu-Qing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang Diastereoselective 1,3-Dipolar Cycloadditions of N,N'-Cyclic Azomethine Imines with Iminooxindoles for Access to Oxindole Spiro-N,N-bicyclic Heterocycles. Organic letters, 2016, 18, 848-851 |
| 1542656 | CIF | C20 H11 Cl6 O2 P S2 | P 1 21/n 1 | 11.338; 11.077; 18.981 90; 106.186; 90 | 2289.4 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542657 | CIF | C18 H9 O3 P S | P 1 21/n 1 | 8.3936; 15.6127; 10.697 90; 100.496; 90 | 1378.35 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542658 | CIF | C18 H9 P S3 | P -1 | 3.9829; 10.6559; 17.2702 86.043; 89.121; 81.767 | 723.68 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542659 | CIF | C18 H9 O2 P S | P c c n | 16.762; 22.071; 7.4782 90; 90; 90 | 2766.6 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542660 | CIF | C21 H16 F2 N O4 P S | P 1 21/c 1 | 11.099; 11.479; 14.854 90; 95.89; 90 | 1882.5 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542661 | CIF | C18 H9 O P S3 | P 1 21/n 1 | 9.166; 10.699; 15.212 90; 101.527; 90 | 1461.7 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542662 | CIF | C18 H9 O P S2 | P b c a | 8.0119; 20.775; 34.265 90; 90; 90 | 5703.3 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
| 1542663 | CIF | C30 H28 N O3 P | P 1 21/c 1 | 8.675; 19.74; 15.454 90; 106.49; 90 | 2538 | Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates. Organic letters, 2016, 18, 880-883 |
| 1542664 | CIF | C29 H36 N O9 P S | P 1 21/a 1 | 16.58; 10.731; 17.82 90; 104.369; 90 | 3071 | Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates. Organic letters, 2016, 18, 880-883 |
| 1542665 | CIF | C19 H26 Cl3 N2 Rh | P 1 21/c 1 | 11.0944; 14.838; 13.848 90; 105.603; 90 | 2195.6 | Qi, Zisong; Yu, Songjie; Li, Xingwei Rh(III)-Catalyzed Synthesis of N-Unprotected Indoles from Imidamides and Diazo Ketoesters via C-H Activation and C-C/C-N Bond Cleavage. Organic letters, 2016, 18, 700-703 |
| 1542666 | CIF | C17 H13 Br N2 O2 | P 1 21/c 1 | 4.4677; 16.8234; 20.1968 90; 92.566; 90 | 1516.51 | Ma, Haichao; Li, Dianjun; Yu, Wei Synthesis of Quinoxaline Derivatives via Tandem Oxidative Azidation/Cyclization Reaction of N-Arylenamines. Organic letters, 2016, 18, 868-871 |
| 1542667 | CIF | C26 H34 O8 | P 21 21 21 | 7.8754; 9.4243; 32.1424 90; 90; 90 | 2385.61 | Wan, Luo-Sheng; Shao, Li-Dong; Fu, Liangbing; Xu, Jun; Zhu, Guo-Lei; Peng, Xing-Rong; Li, Xiao-Nian; Li, Yan; Qiu, Ming-Hua One-Step Semisynthesis of a Segetane Diterpenoid from a Jatrophane Precursor via a Diels-Alder Reaction. Organic letters, 2016, 18, 496-499 |
| 1542668 | CIF | C42 H32 S | P -1 | 8.317; 16.04; 23.373 108.62; 98.945; 90.295 | 2913.9 | Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes. Organic letters, 2016, 18, 384-387 |
| 1542669 | CIF | C26 H15 F3 S | P -1 | 7.4947; 10.4244; 12.3741 83; 82.694; 81.603 | 943.36 | Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes. Organic letters, 2016, 18, 384-387 |
| 1542670 | CIF | C24 H32 N2 O3 S | P 1 21 1 | 16.9083; 5.97938; 23.1232 90; 103.885; 90 | 2269.47 | Yoshizaki, Soichi; Nakamura, Yu; Masutomi, Koji; Yoshida, Tomoka; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of 1,6-Enynes with Cyclopropylideneacetamides. Organic letters, 2016, 18, 388-391 |
| 1542671 | CIF | C28 H20 N2 O6 S | P b c a | 13.7519; 14.9993; 22.6562 90; 90; 90 | 4673.27 | Kumar, N. N. Bhuvan; Kutateladze, Andrei G. Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications. Organic letters, 2016, 18, 460-463 |
| 1542672 | CIF | C17 H14 N2 O4 | P 1 21/n 1 | 9.1645; 8.7385; 18.3694 90; 104.426; 90 | 1424.71 | Kumar, N. N. Bhuvan; Kutateladze, Andrei G. Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications. Organic letters, 2016, 18, 460-463 |
| 1542673 | CIF | C19 H13 Cl N2 O3 | C 1 2/c 1 | 17.6228; 12.8352; 14.1014 90; 91.786; 90 | 3188.08 | Kumar, N. N. Bhuvan; Kutateladze, Andrei G. Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications. Organic letters, 2016, 18, 460-463 |
| 1542674 | CIF | C36 H50 S4 Si2 | P -1 | 12.2329; 17.7221; 19.3408 69.034; 72.015; 72.867 | 3643.1 | Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes. Organic letters, 2016, 18, 368-371 |
| 1542675 | CIF | C34 H44 S4 Si2 | P -1 | 11.715; 12.209; 15.564 76.856; 75.796; 79.474 | 2082.4 | Chang, Shao-Ling; Lu, Chih-Wen; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Yen-Ju Synthesis and Molecular Properties of Two Isomeric Dialkylated Tetrathienonaphthalenes. Organic letters, 2016, 18, 368-371 |
| 1542676 | CIF | C24 H18 O3 | P 1 21/n 1 | 9.9595; 12.5319; 14.6208 90; 97.484; 90 | 1809.3 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542677 | CIF | C16 H12 O3 | P -1 | 7.6359; 8.6199; 10.087 80.935; 79.666; 69.242 | 607.6 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542678 | CIF | C19 H18 O4 | P 1 21/c 1 | 9.4895; 8.7747; 19.062 90; 101.174; 90 | 1557.2 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542679 | CIF | C17 H14 O3 | P 1 21/n 1 | 9.3485; 13.5764; 10.5947 90; 101.444; 90 | 1317.94 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542680 | CIF | C16 H12 O3 | P b c a | 10.0417; 18.527; 26.755 90; 90; 90 | 4977.6 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542681 | CIF | C22 H22 O5 | P -1 | 9.3342; 10.9832; 19.0771 103.527; 91.081; 99.292 | 1873.3 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 1542682 | CIF | C12 H11 Cl F3 N O | P 1 21/n 1 | 10.761; 5.854; 19.673 90; 102.693; 90 | 1209 | Fu, Mingyang; Chen, Long; Jiang, Yongpeng; Jiang, Zhong-Xing; Yang, Zhigang Copper-Catalyzed Intermolecular Chloro- and Bromotrifluoromethylation of Alkenes. Organic letters, 2016, 18, 348-351 |
| 1542683 | CIF | C36 H36 Br N2 O4.5 S | C 1 2 1 | 27.2716; 10.7113; 11.2422 90; 90.5644; 90 | 3283.85 | Wang, Shoulei; Rodriguez-Escrich, Carles; Pericàs, Miquel A H-Bond-Directing Organocatalyst for Enantioselective [4 + 2] Cycloadditions via Dienamine Catalysis. Organic letters, 2016, 18, 556-559 |
| 1542684 | CIF | C13 H10 N2 S | P -1 | 3.9105; 10.8964; 12.403 97.328; 94.957; 92.265 | 521.54 | Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T. Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight. Organic letters, 2016, 18, 356-359 |
| 1542685 | CIF | C14 H12 N2 O S | P 1 21/c 1 | 13.1514; 12.8014; 7.2224 90; 105.094; 90 | 1173.99 | Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T. Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight. Organic letters, 2016, 18, 356-359 |
| 1542686 | CIF | C26 H22 Cl2 N2 O4 | P 1 21/c 1 | 9.921; 17.9238; 12.9555 90; 90.022; 90 | 2303.8 | Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement. Organic letters, 2016, 18, 380-383 |
| 1542687 | CIF | C24 H17 Cl N2 O3 | P 1 21/c 1 | 14.8316; 16.4395; 7.8011 90; 93.277; 90 | 1898.99 | Zhou, Yunfei; Zhu, Jianming; Li, Bo; Zhang, Yong; Feng, Jia; Hall, Adrian; Shi, Jiye; Zhu, Weiliang Access to Different Isomeric Dibenzoxazepinones through Copper-Catalyzed C-H Etherification and C-N Bond Construction with Controllable Smiles Rearrangement. Organic letters, 2016, 18, 380-383 |
| 1542688 | CIF | C32 H16 Br8 O8 | C 1 2/c 1 | 21.0972; 15.0686; 14.2085 90; 128.249; 90 | 3547.3 | Kumar, Yogendra; Kumar, Sharvan; Kumar Keshri, Sudhir; Shukla, Jyoti; Singh, Shiv Shankar; Thakur, Tejender S.; Denti, Mitchell; Facchetti, Antonio; Mukhopadhyay, Pritam Synthesis of Octabromoperylene Dianhydride and Diimides: Evidence of Halogen Bonding and Semiconducting Properties. Organic letters, 2016, 18, 472-475 |
| 1542689 | CIF | C11 H10 N4 O3 | P b c a | 10.487; 13.0919; 16.145 90; 90; 90 | 2216.6 | Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group. Organic letters, 2016, 18, 448-451 |
| 1542690 | CIF | C34 H35 Br N2 O | P 21 21 21 | 10.839; 23.282; 24.36 90; 90; 90 | 6147 | Li, Xuanyi; Xu, Xiuyan; Wei, Weiwei; Lin, Aijun; Yao, Hequan Organocatalyzed Asymmetric 1,6-Conjugate Addition of para-Quinone Methides with Dicyanoolefins. Organic letters, 2016, 18, 428-431 |
| 1542691 | CIF | C14 H17 F N2 O2 S | P 1 21 1 | 5.8834; 11.064; 11.101 90; 102.611; 90 | 705.2 | Hajra, Saumen; Aziz, Sk Mohammad; Jana, Bibekananda; Mahish, Prosenjit; Das, Dhiraj Synthesis of Chiral Spiro-Aziridine Oxindoles via Aza-Corey-Chaykovsky Reaction of Isatin Derived N-tert-Butanesulfinyl Ketimines. Organic letters, 2016, 18, 532-535 |
| 1542692 | CIF | C32 H31 N O5 | P 1 21/c 1 | 10.3073; 11.8581; 21.8138 90; 94.816; 90 | 2656.8 | Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines. Organic letters, 2016, 18, 600-603 |
| 1542693 | CIF | C26 H20 F3 N O | I 1 2/a 1 | 18.3718; 5.6809; 40.089 90; 100.975; 90 | 4107.5 | Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines. Organic letters, 2016, 18, 600-603 |
| 1542694 | CIF | C29 H25 F2 N O3 | P -1 | 10.2357; 10.5168; 12.7893 71.454; 71.195; 73.002 | 1207.61 | Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines. Organic letters, 2016, 18, 600-603 |
| 1542695 | CIF | C18 H24 O3 | P 21 21 21 | 7.8269; 8.7254; 23.407 90; 90; 90 | 1598.5 | Liu, Chenguang; Zeng, Zhixiong; Chen, Renzhi; Jiang, Xunjin; Wang, Yinglu; Zhang, Yandong Total Synthesis of (+)-Fusarisetin A Driven by a One-Pot Four-Reaction Process. Organic letters, 2016, 18, 624-627 |
| 1542696 | CIF | C18 H12 Br2 O2 S | P -1 | 7.9582; 8.0654; 13.665 82.257; 84.908; 72.622 | 828.3 | Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit. Organic letters, 2016, 18, 524-527 |
| 1542697 | CIF | C19 H16 O4 S2 | P -1 | 7.573; 8.012; 15.475 77.359; 78.217; 86.315 | 896.7 | Wang, Miao; Xiang, Jia-Chen; Cheng, Yan; Wu, Yan-Dong; Wu, An-Xin Synthesis of 2,4,5-Trisubstituted Furans via a Triple C(sp(3))-H Functionalization Reaction Using Rongalite as the C1 Unit. Organic letters, 2016, 18, 524-527 |
| 1542698 | CIF | C23.5 H14.5 Cl4.5 N3 O8 | P -1 | 9.645; 11.531; 23.18 92.059; 90.249; 95.534 | 2564.25 | Yoon, Ina; Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M. Synthesis of 9-Substituted Triptycene Building Blocks for Solid-Phase Diversification and Nucleic Acid Junction Targeting. Organic letters, 2016, 18, 1096 |
| 1542699 | CIF | C17 H16 F N O | P -1 | 5.5492; 10.9097; 11.6094 102.644; 93.799; 96.078 | 679.03 | Wang, Yi-Feng; Hu, Ming; Hayashi, Hirohito; Xing, Bengang; Chiba, Shunsuke Linking of Alcohols with Vinyl Azides. Organic letters, 2016, 18, 992 |
| 1542700 | CIF | C22 H17 Cl2 F3 N2 O3 | P 21 21 21 | 7.6378; 15.9147; 18.2712 90; 90; 90 | 2220.9 | Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a "Building Block". Organic letters, 2016, 18, 956 |
| 1542701 | CIF | C26 H20 Cl F3 N2 O3 | P 1 21 1 | 10.2811; 11.149; 11.3115 90; 115.56; 90 | 1169.7 | Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a "Building Block". Organic letters, 2016, 18, 956 |
| 1542702 | CIF | C10 H6 F3 N3 O | P -1 | 7.0244; 7.2782; 10.394 99.34; 92.323; 91.732 | 523.55 | Pieber, Bartholomäus; Kappe, C. Oliver Generation and Synthetic Application of Trifluoromethyl Diazomethane Utilizing Continuous Flow Technologies. Organic letters, 2016, 18, 1076 |
| 1542703 | CIF | C16 H15 F5 O3 S | P -1 | 5.584; 11.7071; 12.0947 85.184; 83.294; 87.881 | 782.18 | Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane. Organic letters, 2016, 18, 1012 |
| 1542704 | CIF | C17 H23 Cl2 F5 O3 S | P -1 | 10.0879; 13.4704; 16.5159 66.318; 85.001; 89.698 | 2046.4 | Friese, Florian W.; Dreier, Anna-Lena; Matsnev, Andrej V.; Daniliuc, Constantin G.; Thrasher, Joseph S.; Haufe, Günter Anti-Selective Aldol Reactions of Pentafluorosulfanylacetic Acid Esters with Aldehydes Mediated by Dicyclohexylchloroborane. Organic letters, 2016, 18, 1012 |
| 1542705 | CIF | C19 H19 N O3 | P 1 21 1 | 9.2196; 6.1859; 14.23 90; 94.59; 90 | 809 | Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds. Organic letters, 2016, 18, 1178 |
| 1542706 | CIF | C12 H14 N2 O5 | P 1 21/c 1 | 8.922; 19.474; 8.18 90; 111.49; 90 | 1322.4 | Wang, Jie; Wang, Mingyang; Chen, Kehao; Zha, Shanke; Song, Chao; Zhu, Jin C-H Activation-Based Traceless Synthesis via Electrophilic Removal of a Directing Group. Rhodium(III)-Catalyzed Entry into Indoles from N-Nitroso and α-Diazo-β-keto Compounds. Organic letters, 2016, 18, 1178 |
| 1542707 | CIF | C21 H29 N O6 | P 1 21/n 1 | 15.7725; 9.1679; 16.4313 90; 115.84; 90 | 2138.41 | Shen, Xin-Yue; Peng, Xiao-Shui; Wong, Henry N. C. Total Synthesis of (±)-Gracilioether F. Organic letters, 2016, 18, 1032 |
| 1542708 | CIF | C14 H18 F N O4 S | P 21 21 21 | 7.0953; 12.6329; 16.757 90; 90; 90 | 1502 | Wu, Liang; Chen, Pinhong; Liu, Guosheng Pd(II)-Catalyzed Aminofluorination of Alkenes in Total Synthesis 6-(R)-Fluoroswainsonine and 5-(R)-Fluorofebrifugine. Organic letters, 2016, 18, 960 |
| 1542709 | CIF | C22 H17 N3 O2 | P -1 | 3.8508; 12.3597; 18.3893 82.341; 88.727; 87.157 | 866.25 | Kumar, Gangam Srikanth; Kapur, Manmohan Ruthenium-Catalyzed, Site-Selective C-H Allylation of Indoles with Allyl Alcohols as Coupling Partners. Organic letters, 2016, 18, 1112 |
| 1542710 | CIF | C22 H18 Br N O | P 21 21 21 | 9.7821; 10.3912; 35.968 90; 90; 90 | 3656.1 | Liu, Zhen-Ting; Wang, Ya-Hui; Zhu, Fu-Lin; Hu, Xiang-Ping Enantioselective Copper-Catalyzed Formal [4 + 2] Cycloaddition of o-Aminophenol Derivatives with Propargylic Esters for Synthesis of Optically Active 3,4-Dihydro-2H-1,4-benzoxazines. Organic letters, 2016, 18, 1190 |
| 1542711 | CIF | C15 H10 Br I O | P 1 21/n 1 | 7.603; 10.723; 16.702 90; 91.919; 90 | 1360.9 | Sasaki, Teppei; Miyagi, Kotaro; Moriyama, Katsuhiko; Togo, Hideo Direct Preparation of 3-Iodochromenes from 3-Aryl- and 3-Alkyl-2-propyn-1-ols with Diaryliodonium Salts and NIS. Organic letters, 2016, 18, 944 |
| 1542712 | CIF | C18 H16 F N O4 | P 1 21/n 1 | 11.161; 9.295; 15.244 90; 94.06; 90 | 1577.5 | Yang, Chen; Liu, Yang; Yang, Jin-Dong; Li, Yi-He; Li, Xin; Cheng, Jin-Pei Amination of 3-Substituted Benzofuran-2(3H)-ones Triggered by Single-Electron Transfer. Organic letters, 2016, 18, 1036 |
| 1542713 | CIF | C79 H72 N6 O10 | C 1 2/c 1 | 38.088; 12.3446; 34.909 90; 107.222; 90 | 15678 | Bi, Jiahai; Zeng, Xiangfei; Tian, Demei; Li, Haibing Temperature-Responsive Switch Constructed from an Anthracene-Functionalized Pillar[5]arene-Based Host-Guest System. Organic letters, 2016, 18, 1092 |
| 1542714 | CIF | C30 H44 O4 | P 21 21 21 | 8.0564; 12.2225; 28.0933 90; 90; 90 | 2766.33 | Coffinier, Romain; Assal, Mourad El; Peixoto, Philippe A.; Bosset, Cyril; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Pouységu, Laurent; Quideau, Stéphane Total Synthesis of (-)-Bacchopetiolone via an Asymmetric Hydroxylative Phenol Dearomatization/[4+2]-Dimerization Cascade Promoted by a Novel Salen-Type Chiral Iodane. Organic letters, 2016, 18, 1120 |
| 1542715 | CIF | C14 H10 N2 O2 | P 1 21/c 1 | 15.2095; 5.9093; 12.9247 90; 102.997; 90 | 1131.88 | Bhat, Shreesha V.; Robinson, David; Moses, John E.; Sharma, Pallavi Synthesis of Oxadiazol-5-imines via the Cyclizative Capture of in Situ Generated Cyanamide Ions and Nitrile Oxides. Organic letters, 2016, 18, 1100 |
| 1542716 | CIF | C114 H105 Br7 Cl9 N16 O19 | P 1 21/n 1 | 19.423; 23.548; 30.226 90; 98.09; 90 | 13687 | Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation. Organic letters, 2016, 18, 1044 |
| 1542717 | CIF | C699.6 H691.6 Br14 Cl64.8 N96 O101 | P 1 21/c 1 | 59.25; 37.63; 38.83 90; 104.6; 90 | 83779 | Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation. Organic letters, 2016, 18, 1044 |
| 1542718 | CIF | C19 H23 N O3 S | P 21 21 21 | 6.101; 15.371; 19.086 90; 90; 90 | 1789.9 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542719 | CIF | C16 H19 N O3 S | P 1 21 1 | 5.804; 22.592; 6.639 90; 115.905; 90 | 783.1 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542720 | CIF | C18 H18 Br N O5 S | P 21 21 21 | 8.115; 11.495; 19.441 90; 90; 90 | 1813.5 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542721 | CIF | C16 H19 N O4 S | P 21 21 21 | 7.758; 10.373; 19.137 90; 90; 90 | 1540 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542722 | CIF | C17 H13 Br F3 N O4 S | P 21 21 21 | 14.6; 14.941; 16.318 90; 90; 90 | 3559.6 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542723 | CIF | C16 H18 Br N O3 S | P 1 21 1 | 5.9781; 19.198; 7.657 90; 108.46; 90 | 833.6 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542724 | CIF | C16 H18 N4 O3 S | P 21 21 21 | 5.4849; 12.639; 24.563 90; 90; 90 | 1702.8 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542725 | CIF | C17 H16 Br N O4 S | P 1 21 1 | 7.819; 11.246; 9.64 90; 94.539; 90 | 845 | Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules. Organic letters, 2016, 18, 896 |
| 1542726 | CIF HKL Paper | C14 H16 O3 | C 1 2/c 1 | 16.401; 6.9386; 20.666 90; 97.089; 90 | 2333.8 | Lough, Alan J.; Carlson, Emily; Tam, William (1a<i>R</i>*,2<i>R</i>*,7<i>S</i>*,7a<i>S</i>*)-<i>rel</i>-3,6-Dimethoxy-2-methyl-1a,2,7,7a-tetrahydro-2,7-epoxy-1<i>H</i>-cyclopropa[<i>b</i>]naphthalene IUCrData, 2016, 1, x160341 |
| 1542727 | CIF HKL Paper | C76 H72 Ag2 Cl N O5 P4 S2 | P -1 | 12.44; 13.07; 13.579 93.489; 117.157; 115.354 | 1682.6 | Li, Yun-Hua; Shao, Yong-Liang μ-Chlorido-bis[(dimethyl sulfoxide-κ<i>O</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] nitrate IUCrData, 2016, 1, x160332 |
| 1542728 | CIF HKL Paper | C13 H19 N O3 | P -1 | 5.2542; 10.374; 11.341 94.937; 102.429; 102.811 | 582.8 | Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko <i>N</i>-Hexyl-3,4-dihydroxybenzamide IUCrData, 2016, 1, x160346 |
| 1542729 | CIF HKL Paper | C32 H48 Cl4 Cu2 N6 O20 | P 1 21/n 1 | 15.262; 9.355; 15.832 90; 92.858; 90 | 2257.6 | Zhu, Xian-Hong; Li, Peng; Chen, Xiao-Wei; Ke, Wen-Shan; Chen, Fei; Zhang, Hua-Xin [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(pyridin-2-ylmethyl)butane-1,4-diamine]bis[(dimethanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)] bis(perchlorate) IUCrData, 2016, 1, x160344 |
| 1542730 | CIF | C22 H18 | P n a 21 | 22.283; 10.1485; 6.7864 90; 90; 90 | 1534.7 | Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects Chem. Sci., 2016, 7, 4318 |
| 1542731 | CIF | C24 H18 | P 1 21/n 1 | 7.4014; 11.2513; 19.726 90; 91.021; 90 | 1642.4 | Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects Chem. Sci., 2016, 7, 4318 |
| 1542732 | CIF | C19 H18 O | P 1 21/n 1 | 9.9373; 5.8477; 23.768 90; 98.064; 90 | 1367.5 | Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects Chem. Sci., 2016, 7, 4318 |
| 1542733 | CIF | C19 H19 Cl O5 | P -1 | 7.9475; 10.528; 11.586 93.439; 108.109; 96.394 | 911.1 | Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes Chem. Sci., 2016, 7, 4134 |
| 1542734 | CIF | C20 H22 O5 | P -1 | 8.172; 9.085; 13.302 85.887; 79.292; 63.379 | 867.4 | Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes Chem. Sci., 2016, 7, 4134 |
| 1542735 | CIF | C19 H19 Cl O6 | P -1 | 9.9793; 11.954; 15.515 90.309; 90.735; 101.28 | 1814.9 | Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes Chem. Sci., 2016, 7, 4134 |
| 1542736 | CIF | C22 H19 F6 N4 O8 Os S2 | P 1 21/n 1 | 14.8667; 23.2445; 16.5946 90; 91.203; 90 | 5733.31 | Sugimoto, Hideki; Kanetake, Takayuki; Maeda, Kazuki; Itoh, Shinobu Oxidative Cyclization of 1,5-Dienes with Hydrogen Peroxide Catalyzed by an Osmium(III) Complex: Synthesis of cis-Tetrahydrofurans. Organic letters, 2016, 18, 1246-1249 |
| 1542737 | CIF | C15 H15 N O5 | C 1 2/c 1 | 28.1106; 5.872; 21.0927 90; 130.543; 90 | 2645.79 | Wendler, Felix; Rudolph, Tobias; Görls, Helmar; Jasinski, Nils; Trouillet, Vanessa; Barner-Kowollik, Christopher; Schacher, Felix H. Maleimide-functionalized poly(2-ethyl-2-oxazoline): synthesis and reactivity Polym. Chem., 2016, 7, 2419 |
| 1542738 | CIF | C14 H6 N2 O2 | P 1 | 6.061; 3.384; 11.575 90; 90; 90 | 237.4 | Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction Journal of Macromolecular Science, Part B, 1985, 24, 159-179 |
| 1542739 | CIF | C14 H6 N2 S2 | P 1 | 6.044; 3.417; 12.194 90; 90; 90 | 251.8 | Fratini, Albert V.; Cross, Elisa M.; O'brien, Joseph F.; Adams, W. Wade The structure of poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) fibers by X-ray diffraction Journal of Macromolecular Science, Part B, 1985, 24, 159-179 |
| 1542740 | CIF | Ce0.12 O2 Zr0.88 | P 42/n m c :1 | 3.627; 3.627; 5.2336 90; 90; 90 | 68.849 | Wang, X.-L.; Hubbard, C.R.; Alexander, K.B.; Becher, P.F. Neutron diffraction measurements of the residual stresses in Al2O3 - ZrO2 (CeO2) ceramic composites Journal of the American Ceramic Society, 1994, 77, 1569-1575 |
| 1542741 | CIF | C27 H19 N3 O | P 1 21/c 1 | 4.832; 30.042; 13.79 90; 90.81; 90 | 2001.6 | Wang, Fen; Wang, He; Wang, Qiang; Yu, Songjie; Li, Xingwei Co(III)-Catalyzed Synthesis of Quinazolines via C-H Activation of N-Sulfinylimines and Benzimidates. Organic letters, 2016, 18, 1306-1309 |
| 1542742 | CIF | C33 H40 O7 S | P 1 21 1 | 11.0077; 9.7685; 14.9709 90; 103.216; 90 | 1567.17 | Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M. A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors Chem. Sci., 2016, 7, 4259 |
| 1542743 | CIF | C22 H16 Cl N O2 S | P 1 21/c 1 | 10.375; 16.767; 10.757 90; 97.534; 90 | 1855.1 | Zhang, Liangliang; Chen, Su; Gao, Yuzhen; Zhang, Pengbo; Wu, Yile; Tang, Guo; Zhao, Yufen tert-Butyl Hydroperoxide Mediated Cascade Synthesis of 3-Arylsulfonylquinolines. Organic letters, 2016, 18, 1286-1289 |
| 1542744 | CIF | C14 H17 N O3 | P b c a | 9.1055; 9.4967; 30.8939 90; 90; 90 | 2671.46 | Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers. Organic letters, 2016, 18, 1470-1473 |
| 1542745 | CIF | C16 H19 N O5 | P 1 21/c 1 | 8.8082; 19.624; 9.7487 90; 95.42; 90 | 1677.5 | Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers. Organic letters, 2016, 18, 1470-1473 |
| 1542746 | CIF | C48 H191 Co5 N40 O126 Sb9 W24 | P 21 3 | 27.1499; 27.1499; 27.1499 90; 90; 90 | 20012.7 | Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks Chem. Sci., 2016, 7, 4220 |
| 1542747 | CIF | C60 H235 Cl Co4 N49 O133 Sb9 W24 | P 1 21/c 1 | 21.9241; 26.104; 42.1665 90; 119.618; 90 | 20979 | Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks Chem. Sci., 2016, 7, 4220 |
| 1542748 | CIF | C48 H47 N10 O10.5 S2 | P -1 | 16.853; 17.211; 18.087 99.16; 91.7; 96.78 | 5136.9 | Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L. Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening Chem. Sci., 2016, 7, 4148 |
| 1542749 | CIF | C48 H52 N10 O13 S2 | P 1 21/n 1 | 13.49; 18.126; 20.197 90; 101.26; 90 | 4843.5 | Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L. Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening Chem. Sci., 2016, 7, 4148 |
| 1542750 | CIF | C54 H68 F12 N10 O10 P2 | P -1 | 10.032; 10.288; 15.459 80.45; 80.06; 80.81 | 1535.6 | Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L. Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening Chem. Sci., 2016, 7, 4148 |
| 1542751 | CIF | C40 H39 F12 N11 O2 P2 | P 1 21/n 1 | 11.353; 20.065; 19.117 90; 98.58; 90 | 4306.1 | Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L. Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening Chem. Sci., 2016, 7, 4148 |
| 1542752 | CIF | C40 H41 F12 N11 O3 P2 | C 1 2/c 1 | 28.552; 13.685; 22.641 90; 103.63; 90 | 8597 | Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L. Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening Chem. Sci., 2016, 7, 4148 |
| 1542753 | CIF | C20 H18 O6 | P 1 21/c 1 | 11.2187; 15.6963; 9.3981 90; 90.354; 90 | 1654.9 | Do, Lien T. M.; Aree, Thammarat; Siripong, Pongpun; Pham, Tuyen N. K.; Nguyen, Phung K. P.; Tip-pyang, Santi Bougainvinones A–H, Peltogynoids from the Stem Bark of PurpleBougainvillea spectabilisand Their Cytotoxic Activity Journal of Natural Products, 2016 |
| 1542754 | CIF HKL Paper | C14 H8 I N3 O2 | P 1 21/c 1 | 11.962; 9.0103; 13.2047 90; 109.893; 90 | 1338.29 | Moreno-Fuquen, Rodolfo; Garcia, Andres C.; Abonia, Rodrigo; Jaramillo-Gómez, Luz M.; Kennedy, Alan R. (<i>Z</i>)-<i>N</i>-(2-Iodophenyl)-4-nitrobenzimidoyl cyanide IUCrData, 2016, 1, x160315 |
| 1542755 | CIF HKL Paper | C12 H16 O3 | P 1 21/c 1 | 4.5856; 14.2281; 8.3312 90; 98.515; 90 | 537.57 | Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde IUCrData, 2016, 1, x160307 |
| 1542756 | CIF HKL Paper | C74 H91 Ge2 N5 S2 Si2 | P -1 | 11.0447; 13.4587; 13.9291 64.297; 82.371; 85.629 | 1848.74 | Guo, Wenzhen; Ma, Fengle; Zheng, Wenjun 1,3,7,9-Tetrakis[2,6-bis(1-methylethyl)phenyl]-2,2,8,8-tetraphenyl-5,10-dithia-1,3,7,9-tetraaza-2,8-disila-4,6-digermadispiro[3.1.3.1]decane acetonitrile monosolvate IUCrData, 2016, 1, x160299 |
| 1542757 | CIF HKL Paper | C32 H78 Bi4 Cl16 N14 | P 1 21/c 1 | 12.6427; 18.8486; 15.1377 90; 112.782; 90 | 3325.8 | Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium di-μ~3~-chlorido-tetra-μ~2~-chlorido-decachloridotetrabismuthate acetonitrile disolvate IUCrData, 2016, 1, x160317 |
| 1542758 | CIF | C17.5 H16 Cl N O2 | P -1 | 5.98282; 11.5033; 22.3942 83.2783; 89.5639; 85.3431 | 1525.57 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542759 | CIF | C10 H9 N O2 | P 1 21/n 1 | 7.498; 5.69208; 19.4188 90; 90.668; 90 | 828.72 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542760 | CIF | C20 H19 N O4 | P -1 | 12.43088; 15.8294; 18.0723 92.4918; 101.882; 100.546 | 3408.97 | García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones Chem. Sci., 2016, 7, 3914 |
| 1542761 | CIF | C15 H19 Br2 Cl O3 | P 1 21 1 | 15.775; 7.137; 16.382 90; 107.97; 90 | 1754.4 | Gutiérrez-Cepeda, Adrián; Fernández, José J; Norte, Manuel; López-Rodríguez, Matías; Brito, Iván; Muller, Christian D.; Souto, María L Additional Insights into the Obtusallene Family: Components of Laurencia marilzae. Journal of natural products, 2016, 79, 1184-1188 |
| 1542762 | CIF | C20 H31 N3 O | P 21 21 21 | 5.3218; 14.7425; 21.8252 90; 90; 90 | 1712.33 | Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton. Journal of natural products, 2016, 79, 1203-1207 |
| 1542763 | CIF | C20 H33 N3 | P 21 21 21 | 5.4602; 17.7085; 18.1951 90; 90; 90 | 1759.3 | Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton. Journal of natural products, 2016, 79, 1203-1207 |
| 1542764 | CIF | C50 H45 Cl F12 N10 O3 P2 Ru2 | C 1 2/c 1 | 36.067; 15.5582; 18.7893 90; 92.869; 90 | 10530.2 | Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol., 2016, 6, 5088 |
| 1542765 | CIF | C50.5 H43.25 Cl2 N13.75 O10 Ru2 | P 1 21/n 1 | 15.1819; 26.556; 15.5336 90; 112.382; 90 | 5790.9 | Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol., 2016, 6, 5088 |
| 1542766 | CIF | C14 H15 N O S | P 1 21/c 1 | 17.501; 5.6716; 12.6807 90; 104.641; 90 | 1217.8 | Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions Chem. Sci., 2016, 7, 4067 |
| 1542767 | CIF | C45 H56 Cl4 Cs2 N20 O13 Zn | C 1 c 1 | 16.17; 15.723; 22.381 90; 98.896; 90 | 5621.7 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542768 | CIF | C45 H77 Cl5 K2 N20 O23 Zn | P 21 21 21 | 11.478; 15.141; 34.706 90; 90; 90 | 6032 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542769 | CIF | C45 H75 Cl5 N20 Na2 O22 Zn | P 21 21 21 | 11.522; 15.252; 35.056 90; 90; 90 | 6160.5 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542770 | CIF | C45 H56 Cl4 N20 O13 Rb2 Zn | C 1 c 1 | 16.032; 15.689; 22.294 90; 99.974; 90 | 5522.8 | Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion Inorganica Chimica Acta, 2016, 445, 1-7 |
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure–mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542840 | CIF HKL | C27 H29 Cl N2 O7 | P -1 | 11.9406; 21.3081; 5.103 92.373; 93.003; 85.308 | 1291.3 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542841 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 11.89; 4.9621; 21.4281 90; 90.663; 90 | 1264.16 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542842 | CIF HKL | C28 H25 Cl N2 O8 | P 1 21 1 | 16.959; 4.7993; 17.285 90; 113.55; 90 | 1289.7 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542843 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 21.7202; 5.0077; 11.8457 90; 93.954; 90 | 1285.4 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542844 | CIF HKL | C46 H46 Cl2 N4 O12 | P -1 | 7.3994; 25.6703; 5.8254 90.162; 98.598; 98.315 | 1082.2 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542845 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.0243; 9.4152; 10.928 82.75; 79.147; 76.703 | 688.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542846 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 6.9676; 21.336; 9.1861 90; 99.139; 90 | 1348.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542847 | CIF Paper | C12 H8 Cl5 N O | P 1 21 1 | 7.0572; 15.4665; 13.2112 90; 98.98; 90 | 1424.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542848 | CIF Paper | C12 H8 Cl5 N O | I 1 2/a 1 | 22.638; 7.2553; 18.013 90; 90.767; 90 | 2958.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542849 | CIF Paper | C12 H7 Cl5 N O | P -1 | 7.0681; 9.5008; 11.4095 85.402; 83.071; 71.211 | 719.36 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542850 | CIF Paper | C12 H9 Br Cl3 N O | P -1 | 7.0562; 9.373; 11.11 83.358; 79.173; 76.588 | 700 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542851 | CIF Paper | C12 H9 Cl3 I N O | P -1 | 7.083; 9.354; 11.456 84.118; 79.555; 76.553 | 724.5 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542852 | CIF Paper | C12 H7 Cl4 I N O | P -1 | 7.107; 9.498; 11.827 85.425; 81.804; 71.851 | 750.4 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542853 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 7.851; 11.865; 14.891 90; 106.79; 90 | 1328 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline–phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
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