Crystallography Open Database
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Searching journal of publication like 'Org. Chem. Front.'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1552969 | CIF | C37 H26 O4 | P 21 21 2 | 13.1215; 11.0922; 9.3453 90; 90; 90 | 1360.17 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552970 | CIF | C24.8 H24 N1.6 | P 1 21/n 1 | 14.4556; 10.033; 17.453 90; 111.716; 90 | 2351.6 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552971 | CIF | C31 H30 N2 | P b c n | 26.28; 9.4772; 9.5917 90; 90; 90 | 2388.9 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
| 1552972 | CIF | C17 H21 B Br O P | P 1 | 6.4951; 9.549; 15.501 81.333; 86.707; 74.351 | 915 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552973 | CIF | C20 H22 B Br N O P | P 21 21 21 | 6.2364; 17.7803; 18.9588 90; 90; 90 | 2102.2 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552974 | CIF | C24 H28 B O P | P 21 21 21 | 10.135; 13.483; 15.598 90; 90; 90 | 2131 | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds Org. Chem. Front., 2014, 1, 541 |
| 1552975 | CIF | C26 H21 N O2 | P -1 | 9.7339; 10.1445; 11.2108 69.234; 70.764; 78.702 | 973.4 | Ge, Guang-Cun; Ding, Chang-Hua; Hou, Xue-Long Palladacycle-catalyzed cascade reaction of bicyclic alkenes with alkynyl imines: synthesis of polycyclic 5H-benzo[b]azepines Org. Chem. Front., 2014, 1, 382 |
| 1552976 | CIF | C28 H27 N O | P 21 21 21 | 10.1946; 10.6368; 19.8674 90; 90; 90 | 2154.38 | He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity Org. Chem. Front., 2014, 1, 473 |
| 1552977 | CIF | C16 H6 F4 N4 O2 | P 1 21/c 1 | 14.965; 8.119; 13.829 90; 116.87; 90 | 1498.8 | Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers Org. Chem. Front., 2014, 1, 494 |
| 1552978 | CIF | C36 H23 F3 N4 O | P -1 | 10.327; 11.834; 23.984 79.88; 88.92; 87.48 | 2882.5 | Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers Org. Chem. Front., 2014, 1, 494 |
| 1552979 | CIF | C17 H17 F3 N2 O3 S | P 1 21/c 1 | 13.555; 8.9872; 15.716 90; 112.99; 90 | 1762.5 | Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front., 2014, 1, 657 |
| 1552980 | CIF | C16 H13 F3 N2 O | P 1 21/c 1 | 9.805; 9.3144; 15.513 90; 97.91; 90 | 1403.3 | Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front., 2014, 1, 657 |
| 1552983 | CIF | C36 H48 F6 N O10 P | P -1 | 11.986; 12.2786; 16.2211 103.393; 110.555; 92.801 | 2152.2 | Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A. Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes Org. Chem. Front., 2014, 1, 532 |
| 1552984 | CIF | C39 H46 F6 N O10 P | P 1 21/c 1 | 10.4663; 42.4866; 25.4339 90; 113.902; 90 | 10339.9 | Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A. Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes Org. Chem. Front., 2014, 1, 532 |
| 1552985 | CIF | C46 H73 Br N2 O | P 1 21/n 1 | 9.3761; 13.3939; 16.9447 90; 101.929; 90 | 2082 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552986 | CIF | C46 H70 Br6 N2 | C 1 2/c 1 | 14.2658; 19.7423; 17.2861 90; 104.823; 90 | 4706.4 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552987 | CIF | C46 H70 N2 | P -1 | 9.5494; 12.1924; 17.6614 86.558; 84.548; 76.62 | 1989.92 | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] Org. Chem. Front., 2014, 1, 351 |
| 1552988 | CIF | C76 H88 I N7 O6 | P 1 21 1 | 17.0807; 9.587; 20.1987 90; 93.695; 90 | 3300.72 | Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A. Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes Org. Chem. Front., 2014, 1, 521 |
| 1552989 | CIF | C27 H27 N O4 | P 21 21 21 | 10.3015; 11.2459; 19.9126 90; 90; 90 | 2306.87 | Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun Trienamine catalysis with linear deconjugated 3,5-dienones Org. Chem. Front., 2014, 1, 490 |
| 1552991 | CIF | C28 H21 N O2 | P 1 21/n 1 | 13.6381; 10.0676; 15.0801 90; 91.542; 90 | 2069.8 | Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones Org. Chem. Front., 2014, 1, 707 |
| 1552992 | CIF | C26 H19 N O | P -1 | 8.8997; 9.2955; 11.9387 79.341; 78.262; 83.259 | 947 | Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones Org. Chem. Front., 2014, 1, 707 |
| 1552995 | CIF | C32 H24 O3 | C 1 c 1 | 5.5702; 24.243; 17.573 90; 93.744; 90 | 2368 | Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front., 2014, 1, 759 |
| 1552996 | CIF | C31 H22 O | P 1 21/c 1 | 11.2685; 9.1961; 20.509 90; 92.368; 90 | 2123.5 | Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front., 2014, 1, 759 |
| 1552997 | CIF | C23 H18 O | P 21 21 21 | 6.1046; 15.4141; 17.5871 90; 90; 90 | 1654.9 | Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions Org. Chem. Front., 2014, 1, 965 |
| 1552999 | CIF | C24 H48 Cl6 O9 Ti3 | P -1 | 10.354; 10.811; 18.781 77.136; 88.021; 64.81 | 1850.3 | Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism Org. Chem. Front., 2014, 1, 929 |
| 1553000 | CIF | C30 H44 Cl6 O6 Ti2 | P b c a | 13.085; 12.063; 23.777 90; 90; 90 | 3753 | Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism Org. Chem. Front., 2014, 1, 929 |
| 1553001 | CIF | C27 H31 N O3 Se | P 21 21 21 | 7.2517; 14.3878; 24.292 90; 90; 90 | 2534.53 | Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control Org. Chem. Front., 2014, 1, 974 |
| 1553002 | CIF | C6 H9 N O2 | P 21 21 21 | 4.3822; 7.7125; 19.0393 90; 90; 90 | 643.48 | Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control Org. Chem. Front., 2014, 1, 974 |
| 1553003 | CIF | C62 H54 B Cl8 F4 N O P2 Ru | P -1 | 12.818; 14.788; 16.847 72.67; 86.64; 84.12 | 3031.1 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553004 | CIF | C58 H54 B Cl10 F4 N O P2 Ru | P -1 | 13.1474; 13.1912; 20.2329 80.722; 87.504; 63.196 | 3089.3 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553005 | CIF | C51 H46 B Cl4 F4 N O P2 Ru | P 1 21/n 1 | 13.0587; 25.8151; 14.6635 90; 95.876; 90 | 4917.3 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553006 | CIF | C49.5 H45 B Cl5 F4 N O P2 Ru | P 1 2/c 1 | 23.3968; 10.7057; 19.1358 90; 90.758; 90 | 4792.7 | Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping 1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols Org. Chem. Front., 2014, 1, 1077 |
| 1553008 | CIF | C26 H31 N3 O5 | P -1 | 6.7701; 11.166; 17.891 74.17; 82.524; 85.51 | 1288.8 | Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates Org. Chem. Front., 2014, 1, 914 |
| 1553009 | CIF | C22 H18 Br2 O4 | P -1 | 5.9442; 6.7813; 13.014 91.341; 92.608; 105.719 | 504.1 | Tian, Bing; Liu, Qiang; Tong, Xiaofeng; Tian, Ping; Lin, Guo-Qiang Copper(i)-catalyzed enantioselective hydroboration of cyclopropenes: facile synthesis of optically active cyclopropylboronates Org. Chem. Front., 2014, 1, 1116 |
| 1553010 | CIF | C37 H27 Br N2 O2 S | P -1 | 10.3013; 13.0206; 13.9427 117.359; 105.117; 95.85 | 1548.9 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553011 | CIF | C31 H44 N2 O Si2 | P 1 21/c 1 | 12.32; 12.6141; 21.9831 90; 93.771; 90 | 3408.9 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553012 | CIF | C14 H10 N2 | P b c a | 11.876; 7.462; 24.973 90; 90; 90 | 2213.1 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553013 | CIF | C33 H47 Br N2 O3 Si2 | P -1 | 12.938; 17.204; 18.135 82.713; 85.701; 70.712 | 3777 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553014 | CIF | C33 H35 Br N2 O2 S | P 1 21/n 1 | 13.9802; 13.6497; 16.6352 90; 104.443; 90 | 3074.1 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553015 | CIF | C28 H24 N2 O2 | P -1 | 9.4812; 10.0987; 13.636 74.849; 80.124; 67.332 | 1159.2 | You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940 |
| 1553016 | CIF | C19 H15 Br F3 N O4 | P 1 21/c 1 | 24.855; 9.629; 15.692 90; 96.85; 90 | 3728.7 | Sang, Rui; Tang, Xiang-Ying; Shi, Min Ozonation of methylenecyclopropanes Org. Chem. Front., 2014, 1, 770 |
| 1553018 | CIF | C22 H21 N2 O5 | P 1 21 1 | 10.1723; 19.9258; 10.4443 90; 90.467; 90 | 2116.9 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553019 | CIF | C32 H25 N6 O8 S2 | I -4 | 21.9204; 21.9204; 14.1057 90; 90; 90 | 6777.8 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553020 | CIF | C34 H28 Cl4 N6 O8 S2 | P -1 | 11.2563; 13.065; 14.4176 87.383; 69.786; 66.908 | 1820.34 | Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745 Org. Chem. Front., 2014, 1, 956 |
| 1553021 | CIF | C42 H48 Cl Fe N4 | P 1 21 1 | 10.723; 13.108; 13.974 90; 100.869; 90 | 1929 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553022 | CIF | C41 H55 Cl Fe N3 | P 1 21/n 1 | 9.3521; 23.226; 17.0545 90; 97.944; 90 | 3668.9 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553023 | CIF | C40 H62 Cl Fe N2 | P 1 21/c 1 | 11.2282; 19.506; 16.892 90; 97.31; 90 | 3669.6 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553024 | CIF | C76 H84 B F24 Fe N2 O | P -1 | 12.8079; 13.0473; 25.151 93.467; 102.677; 109.051 | 3835.9 | Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands Org. Chem. Front., 2014, 1, 1040 |
| 1553025 | CIF | C32 H33 N5 O2 S | P -1 | 9.91; 12.6331; 13.0734 90.23; 111.217; 111.642 | 1400.25 | Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour Org. Chem. Front., 2014, 1, 1083 |
| 1553026 | CIF | C27 H30 B O2 P | P 1 21/c 1 | 6.9068; 34.826; 20.4959 90; 96.227; 90 | 4900.9 | Wei, Junnian; Zhang, Yongliang; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis and applications of 1-iodo-4-MgCl-1,3-dienes and 1-iodovinyl phenylmagnesium chlorides Org. Chem. Front., 2014, 1, 983 |
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