Crystallography Open Database

Result : There are 78 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Org. Chem. Front.'

COD ID: 1552969
CIF file Formula: - C37 H26 O4 -
Comments: 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. 1(3) (2014) 271
Space group: P 21 21 2
Cell volume: 1360.17
Cell parameters: 13.1215; 11.0922; 9.3453; 90; 90; 90;  

COD ID: 1552970
CIF file Formula: - C24.8 H24 N1.6 -
Comments: 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. 1(3) (2014) 271
Space group: P 1 21/n 1
Cell volume: 2351.6
Cell parameters: 14.4556; 10.033; 17.453; 90; 111.716; 90;  

COD ID: 1552971
CIF file Formula: - C31 H30 N2 -
Comments: 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. 1(3) (2014) 271
Space group: P b c n
Cell volume: 2388.9
Cell parameters: 26.28; 9.4772; 9.5917; 90; 90; 90;  

COD ID: 1552972
CIF file Formula: - C17 H21 B Br O P -
Comments: 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. 1(5) (2014) 541
Space group: P 1
Cell volume: 915
Cell parameters: 6.4951; 9.549; 15.501; 81.333; 86.707; 74.351;  

COD ID: 1552973
CIF file Formula: - C20 H22 B Br N O P -
Comments: 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. 1(5) (2014) 541
Space group: P 21 21 21
Cell volume: 2102.2
Cell parameters: 6.2364; 17.7803; 18.9588; 90; 90; 90;  

COD ID: 1552974
CIF file Formula: - C24 H28 B O P -
Comments: 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. 1(5) (2014) 541
Space group: P 21 21 21
Cell volume: 2131
Cell parameters: 10.135; 13.483; 15.598; 90; 90; 90;  

COD ID: 1552975
CIF file Formula: - C26 H21 N O2 -
Comments: 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. 1(4) (2014) 382
Space group: P -1
Cell volume: 973.4
Cell parameters: 9.7339; 10.1445; 11.2108; 69.234; 70.764; 78.702;  

COD ID: 1552976
CIF file Formula: - C28 H27 N O -
Comments: 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. 1(5) (2014) 473
Space group: P 21 21 21
Cell volume: 2154.38
Cell parameters: 10.1946; 10.6368; 19.8674; 90; 90; 90;  

COD ID: 1552977
CIF file Formula: - C16 H6 F4 N4 O2 -
Comments: 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. 1(5) (2014) 494
Space group: P 1 21/c 1
Cell volume: 1498.8
Cell parameters: 14.965; 8.119; 13.829; 90; 116.87; 90;  

COD ID: 1552978
CIF file Formula: - C36 H23 F3 N4 O -
Comments: 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. 1(5) (2014) 494
Space group: P -1
Cell volume: 2882.5
Cell parameters: 10.327; 11.834; 23.984; 79.88; 88.92; 87.48;  

COD ID: 1552979
CIF file Formula: - C17 H17 F3 N2 O3 S -
Comments: Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front. 1(6) (2014) 657
Space group: P 1 21/c 1
Cell volume: 1762.5
Cell parameters: 13.555; 8.9872; 15.716; 90; 112.99; 90;  

COD ID: 1552980
CIF file Formula: - C16 H13 F3 N2 O -
Comments: Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles Org. Chem. Front. 1(6) (2014) 657
Space group: P 1 21/c 1
Cell volume: 1403.3
Cell parameters: 9.805; 9.3144; 15.513; 90; 97.91; 90;  

COD ID: 1552983
CIF file Formula: - C36 H48 F6 N O10 P -
Comments: 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. 1(5) (2014) 532
Space group: P -1
Cell volume: 2152.2
Cell parameters: 11.986; 12.2786; 16.2211; 103.393; 110.555; 92.801;  

COD ID: 1552984
CIF file Formula: - C39 H46 F6 N O10 P -
Comments: 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. 1(5) (2014) 532
Space group: P 1 21/c 1
Cell volume: 10339.9
Cell parameters: 10.4663; 42.4866; 25.4339; 90; 113.902; 90;  

COD ID: 1552985
CIF file Formula: - C46 H73 Br N2 O -
Comments: 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. 1(4) (2014) 351
Space group: P 1 21/n 1
Cell volume: 2082
Cell parameters: 9.3761; 13.3939; 16.9447; 90; 101.929; 90;  

COD ID: 1552986
CIF file Formula: - C46 H70 Br6 N2 -
Comments: 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. 1(4) (2014) 351
Space group: C 1 2/c 1
Cell volume: 4706.4
Cell parameters: 14.2658; 19.7423; 17.2861; 90; 104.823; 90;  

COD ID: 1552987
CIF file Formula: - C46 H70 N2 -
Comments: 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. 1(4) (2014) 351
Space group: P -1
Cell volume: 1989.92
Cell parameters: 9.5494; 12.1924; 17.6614; 86.558; 84.548; 76.62;  

COD ID: 1552988
CIF file Formula: - C76 H88 I N7 O6 -
Comments: 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. 1(5) (2014) 521
Space group: P 1 21 1
Cell volume: 3300.72
Cell parameters: 17.0807; 9.587; 20.1987; 90; 93.695; 90;  

COD ID: 1552989
CIF file Formula: - C27 H27 N O4 -
Comments: Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun Trienamine catalysis with linear deconjugated 3,5-dienones Org. Chem. Front. 1(5) (2014) 490
Space group: P 21 21 21
Cell volume: 2306.87
Cell parameters: 10.3015; 11.2459; 19.9126; 90; 90; 90;  

COD ID: 1552991
CIF file Formula: - C28 H21 N O2 -
Comments: 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. 1(6) (2014) 707
Space group: P 1 21/n 1
Cell volume: 2069.8
Cell parameters: 13.6381; 10.0676; 15.0801; 90; 91.542; 90;  

COD ID: 1552992
CIF file Formula: - C26 H19 N O -
Comments: 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. 1(6) (2014) 707
Space group: P -1
Cell volume: 947
Cell parameters: 8.8997; 9.2955; 11.9387; 79.341; 78.262; 83.259;  

COD ID: 1552995
CIF file Formula: - C32 H24 O3 -
Comments: Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front. 1(7) (2014) 759
Space group: C 1 c 1
Cell volume: 2368
Cell parameters: 5.5702; 24.243; 17.573; 90; 93.744; 90;  

COD ID: 1552996
CIF file Formula: - C31 H22 O -
Comments: Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M. Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms Org. Chem. Front. 1(7) (2014) 759
Space group: P 1 21/c 1
Cell volume: 2123.5
Cell parameters: 11.2685; 9.1961; 20.509; 90; 92.368; 90;  

COD ID: 1552997
CIF file Formula: - C23 H18 O -
Comments: 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. 1(8) (2014) 965
Space group: P 21 21 21
Cell volume: 1654.9
Cell parameters: 6.1046; 15.4141; 17.5871; 90; 90; 90;  

COD ID: 1552999
CIF file Formula: - C24 H48 Cl6 O9 Ti3 -
Comments: 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. 1(8) (2014) 929
Space group: P -1
Cell volume: 1850.3
Cell parameters: 10.354; 10.811; 18.781; 77.136; 88.021; 64.81;  

COD ID: 1553000
CIF file Formula: - C30 H44 Cl6 O6 Ti2 -
Comments: 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. 1(8) (2014) 929
Space group: P b c a
Cell volume: 3753
Cell parameters: 13.085; 12.063; 23.777; 90; 90; 90;  

COD ID: 1553001
CIF file Formula: - C27 H31 N O3 Se -
Comments: 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. 1(8) (2014) 974
Space group: P 21 21 21
Cell volume: 2534.53
Cell parameters: 7.2517; 14.3878; 24.292; 90; 90; 90;  

COD ID: 1553002
CIF file Formula: - C6 H9 N O2 -
Comments: 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. 1(8) (2014) 974
Space group: P 21 21 21
Cell volume: 643.48
Cell parameters: 4.3822; 7.7125; 19.0393; 90; 90; 90;  

COD ID: 1553003
CIF file Formula: - C62 H54 B Cl8 F4 N O P2 Ru -
Comments: 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. 1(9) (2014) 1077
Space group: P -1
Cell volume: 3031.1
Cell parameters: 12.818; 14.788; 16.847; 72.67; 86.64; 84.12;  

COD ID: 1553004
CIF file Formula: - C58 H54 B Cl10 F4 N O P2 Ru -
Comments: 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. 1(9) (2014) 1077
Space group: P -1
Cell volume: 3089.3
Cell parameters: 13.1474; 13.1912; 20.2329; 80.722; 87.504; 63.196;  

COD ID: 1553005
CIF file Formula: - C51 H46 B Cl4 F4 N O P2 Ru -
Comments: 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. 1(9) (2014) 1077
Space group: P 1 21/n 1
Cell volume: 4917.3
Cell parameters: 13.0587; 25.8151; 14.6635; 90; 95.876; 90;  

COD ID: 1553006
CIF file Formula: - C49.5 H45 B Cl5 F4 N O P2 Ru -
Comments: 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. 1(9) (2014) 1077
Space group: P 1 2/c 1
Cell volume: 4792.7
Cell parameters: 23.3968; 10.7057; 19.1358; 90; 90.758; 90;  

COD ID: 1553008
CIF file Formula: - C26 H31 N3 O5 -
Comments: 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. 1(8) (2014) 914
Space group: P -1
Cell volume: 1288.8
Cell parameters: 6.7701; 11.166; 17.891; 74.17; 82.524; 85.51;  

COD ID: 1553009
CIF file Formula: - C22 H18 Br2 O4 -
Comments: 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. 1(9) (2014) 1116
Space group: P -1
Cell volume: 504.1
Cell parameters: 5.9442; 6.7813; 13.014; 91.341; 92.608; 105.719;  

COD ID: 1553010
CIF file Formula: - C37 H27 Br N2 O2 S -
Comments: 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. 1(8) (2014) 940
Space group: P -1
Cell volume: 1548.9
Cell parameters: 10.3013; 13.0206; 13.9427; 117.359; 105.117; 95.85;  

COD ID: 1553011
CIF file Formula: - C31 H44 N2 O Si2 -
Comments: 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. 1(8) (2014) 940
Space group: P 1 21/c 1
Cell volume: 3408.9
Cell parameters: 12.32; 12.6141; 21.9831; 90; 93.771; 90;  

COD ID: 1553012
CIF file Formula: - C14 H10 N2 -
Comments: 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. 1(8) (2014) 940
Space group: P b c a
Cell volume: 2213.1
Cell parameters: 11.876; 7.462; 24.973; 90; 90; 90;  

COD ID: 1553013
CIF file Formula: - C33 H47 Br N2 O3 Si2 -
Comments: 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. 1(8) (2014) 940
Space group: P -1
Cell volume: 3777
Cell parameters: 12.938; 17.204; 18.135; 82.713; 85.701; 70.712;  

COD ID: 1553014
CIF file Formula: - C33 H35 Br N2 O2 S -
Comments: 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. 1(8) (2014) 940
Space group: P 1 21/n 1
Cell volume: 3074.1
Cell parameters: 13.9802; 13.6497; 16.6352; 90; 104.443; 90;  

COD ID: 1553015
CIF file Formula: - C28 H24 N2 O2 -
Comments: 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. 1(8) (2014) 940
Space group: P -1
Cell volume: 1159.2
Cell parameters: 9.4812; 10.0987; 13.636; 74.849; 80.124; 67.332;  

COD ID: 1553016
CIF file Formula: - C19 H15 Br F3 N O4 -
Comments: Sang, Rui; Tang, Xiang-Ying; Shi, Min Ozonation of methylenecyclopropanes Org. Chem. Front. 1(7) (2014) 770
Space group: P 1 21/c 1
Cell volume: 3728.7
Cell parameters: 24.855; 9.629; 15.692; 90; 96.85; 90;  

COD ID: 1553018
CIF file Formula: - C22 H21 N2 O5 -
Comments: 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. 1(8) (2014) 956
Space group: P 1 21 1
Cell volume: 2116.9
Cell parameters: 10.1723; 19.9258; 10.4443; 90; 90.467; 90;  

COD ID: 1553019
CIF file Formula: - C32 H25 N6 O8 S2 -
Comments: 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. 1(8) (2014) 956
Space group: I -4
Cell volume: 6777.8
Cell parameters: 21.9204; 21.9204; 14.1057; 90; 90; 90;  

COD ID: 1553020
CIF file Formula: - C34 H28 Cl4 N6 O8 S2 -
Comments: 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. 1(8) (2014) 956
Space group: P -1
Cell volume: 1820.34
Cell parameters: 11.2563; 13.065; 14.4176; 87.383; 69.786; 66.908;  

COD ID: 1553021
CIF file Formula: - C42 H48 Cl Fe N4 -
Comments: 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. 1(9) (2014) 1040
Space group: P 1 21 1
Cell volume: 1929
Cell parameters: 10.723; 13.108; 13.974; 90; 100.869; 90;  

COD ID: 1553022
CIF file Formula: - C41 H55 Cl Fe N3 -
Comments: 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. 1(9) (2014) 1040
Space group: P 1 21/n 1
Cell volume: 3668.9
Cell parameters: 9.3521; 23.226; 17.0545; 90; 97.944; 90;  

COD ID: 1553023
CIF file Formula: - C40 H62 Cl Fe N2 -
Comments: 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. 1(9) (2014) 1040
Space group: P 1 21/c 1
Cell volume: 3669.6
Cell parameters: 11.2282; 19.506; 16.892; 90; 97.31; 90;  

COD ID: 1553024
CIF file Formula: - C76 H84 B F24 Fe N2 O -
Comments: 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. 1(9) (2014) 1040
Space group: P -1
Cell volume: 3835.9
Cell parameters: 12.8079; 13.0473; 25.151; 93.467; 102.677; 109.051;  

COD ID: 1553025
CIF file Formula: - C32 H33 N5 O2 S -
Comments: 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. 1(9) (2014) 1083
Space group: P -1
Cell volume: 1400.25
Cell parameters: 9.91; 12.6331; 13.0734; 90.23; 111.217; 111.642;  

COD ID: 1553026
CIF file Formula: - C27 H30 B O2 P -
Comments: 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. 1(8) (2014) 983
Space group: P 1 21/c 1
Cell volume: 4900.9
Cell parameters: 6.9068; 34.826; 20.4959; 90; 96.227; 90;  

COD ID: 1553027
CIF file Formula: - C22 H18 F3 N O -
Comments: Zhang, Li; Wang, Huiqing; Yang, Bo; Fan, Renhua Imino exchange reaction in a dearomatization strategy: synthesis of N-acyl diarylamines and phenothiazines from two anilines Org. Chem. Front. 1(9) (2014) 1055
Space group: P 1 21/c 1
Cell volume: 1857
Cell parameters: 9.398; 10.644; 18.906; 90; 100.921; 90;  

COD ID: 1553028
CIF file Formula: - C33 H30 F3 N3 O5 S -
Comments: Lei, Chuan-Hu; Zhao, Liang; Wang, De-Xian; Zhu, Jieping; Wang, Mei-Xiang Functionalized imidazoliniums from the three-component domino reaction of N-formylmethylcarboxamides with amines and isocyanides Org. Chem. Front. 1(8) (2014) 909
Space group: P -1
Cell volume: 1505.6
Cell parameters: 8.012; 13.115; 15.516; 102.467; 104.463; 98.556;  

COD ID: 1553029
CIF file Formula: - C20 H26 Cl2 Fe N2 -
Comments: Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front. 1(9) (2014) 1101
Space group: P 1 21/n 1
Cell volume: 2070.2
Cell parameters: 9.0055; 15.94; 14.422; 90; 90.178; 90;  

COD ID: 1553030
CIF file Formula: - C32 H35 Cl2 Fe N2 P -
Comments: Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front. 1(9) (2014) 1101
Space group: P 1 21/c 1
Cell volume: 3094.5
Cell parameters: 12.5511; 14.2462; 17.4859; 90; 98.21; 90;  

COD ID: 1553031
CIF file Formula: - C29 H29 Cl2 Fe N2 P -
Comments: Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes Org. Chem. Front. 1(9) (2014) 1101
Space group: P 1 21/c 1
Cell volume: 2710.5
Cell parameters: 17.631; 10.038; 16.442; 90; 111.334; 90;  

COD ID: 1553032
CIF file Formula: - C20 H20 N2 O -
Comments: Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i) Org. Chem. Front. 1(9) (2014) 1045
Space group: P 1 21/n 1
Cell volume: 6614
Cell parameters: 11.245; 22.954; 26.071; 90; 100.618; 90;  

COD ID: 1553033
CIF file Formula: - C21 H28 N4 O -
Comments: Ma, Gaoyuan; Sibi, Mukund P. Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts Org. Chem. Front. 1(10) (2014) 1152
Space group: P 32
Cell volume: 1736.78
Cell parameters: 13.204; 13.204; 11.5028; 90; 90; 120;  

COD ID: 1553034
CIF file Formula: - C21 H17 Br2 N O3 S -
Comments: Liu, Cheng-Hang; Yu, Zhi-Xiang Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans Org. Chem. Front. 1(10) (2014) 1205
Space group: P 1 21 1
Cell volume: 983.53
Cell parameters: 9.4812; 8.1107; 13.3671; 90; 106.9; 90;  

COD ID: 1553035
CIF file Formula: - C29 H30 Br Cl2 P -
Comments: Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front. 1(9) (2014) 1035
Space group: P 1 21/n 1
Cell volume: 2702.9
Cell parameters: 9.9037; 21.156; 12.948; 90; 94.929; 90;  

COD ID: 1553036
CIF file Formula: - C27 H26 Br O P -
Comments: Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front. 1(9) (2014) 1035
Space group: P 1 21/c 1
Cell volume: 2355
Cell parameters: 10.419; 12.707; 18.309; 90; 103.667; 90;  

COD ID: 1553037
CIF file Formula: - C28 H26 Br O2 P -
Comments: Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation Org. Chem. Front. 1(9) (2014) 1035
Space group: P 1 21/n 1
Cell volume: 2365.6
Cell parameters: 10.9121; 17.4195; 12.67; 90; 100.809; 90;  

COD ID: 1553038
CIF file Formula: - C24 H19 F3 O -
Comments: Ji, Yun-Long; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng Copper-catalyzed tandem trifluoromethylation/cyclization of internal alkynes Org. Chem. Front. 1(11) (2014) 1280
Space group: P -1
Cell volume: 954.8
Cell parameters: 5.3668; 9.6287; 18.804; 82.874; 86.417; 82.471;  

COD ID: 1553039
CIF file Formula: - C44 H54 Cl2 N10 O6 Zn2 -
Comments: Xu, Hao-Ran; Li, Kun; Wang, Ming-Qi; Wang, Bo-Lin; Wang, Xin; Yu, Xiao-Qi The dicyclen‒TPE zinc complex as a novel fluorescent ensemble for nanomolar pyrophosphate sensing in 100% aqueous solution Org. Chem. Front. 1(11) (2014) 1276
Space group: P -1
Cell volume: 2792.4
Cell parameters: 13.7485; 14.2439; 16.1369; 96.785; 111.858; 102.58;  

COD ID: 1553739
CIF file Formula: - C15 H9 F N2 -
Comments: Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L. Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions Org. Chem. Front. 4(8) (2017) 1574
Space group: P b c a
Cell volume: 2406
Cell parameters: 25.513; 13.881; 6.794; 90; 90; 90;  

COD ID: 1553740
CIF file Formula: - C16 H13 N2 -
Comments: Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L. Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions Org. Chem. Front. 4(8) (2017) 1574
Space group: P b c a
Cell volume: 2480.8
Cell parameters: 25.555; 14.1257; 6.8724; 90; 90; 90;  

COD ID: 1556386
CIF file Formula: - C21 H27 N -
Comments: Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4 Org. Chem. Front. 1(1) (2014) 62
Space group: P b c a
Cell volume: 3518.53
Cell parameters: 9.2391; 17.1518; 22.2035; 90; 90; 90;  

COD ID: 1556387
CIF file Formula: - C21 H27 N -
Comments: Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4 Org. Chem. Front. 1(1) (2014) 62
Space group: P 1 21/c 1
Cell volume: 1789
Cell parameters: 13.1716; 8.3809; 20.39; 90; 127.363; 90;  

COD ID: 1556388
CIF file Formula: - C40 H40 -
Comments: Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes Org. Chem. Front. 1(2) (2014) 130
Space group: P -1
Cell volume: 1556.9
Cell parameters: 9.129; 12.58; 15.035; 81.14; 73.69; 70.31;  

COD ID: 1556389
CIF file Formula: - C32 H56 -
Comments: Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes Org. Chem. Front. 1(2) (2014) 130
Space group: C 1 2/c 1
Cell volume: 12012
Cell parameters: 35.265; 19.026; 21.174; 90; 122.27; 90;  

COD ID: 1556390
CIF file Formula: - C34 H24 O2 -
Comments: Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes Org. Chem. Front. 1(2) (2014) 130
Space group: P 1 21/c 1
Cell volume: 2394.3
Cell parameters: 11.409; 8.8005; 24.458; 90; 102.84; 90;  

COD ID: 1556391
CIF file Formula: - C18 H20 O2 -
Comments: Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes Org. Chem. Front. 1(2) (2014) 130
Space group: P 21 21 21
Cell volume: 1380.4
Cell parameters: 9.1769; 10.289; 14.62; 90; 90; 90;  

COD ID: 1556392
CIF file Formula: - C40 H36 -
Comments: Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes Org. Chem. Front. 1(2) (2014) 130
Space group: P 1 21/n 1
Cell volume: 2913.19
Cell parameters: 12.6639; 16.9311; 13.604; 90; 92.886; 90;  

COD ID: 1556393
CIF file Formula: - C16 H16 Br N3 O -
Comments: Fu, Niankai; Zhang, Long; Luo, Sanzhong; Cheng, Jin-Pei Chiral primary amine catalysed asymmetric conjugate addition of azoles to α-substituted vinyl ketones Org. Chem. Front. 1(1) (2014) 68
Space group: P 21 21 21
Cell volume: 1568.9
Cell parameters: 9.466; 12.4249; 13.3396; 90; 90; 90;  

COD ID: 1556401
CIF file Formula: - C52.7 H72.25 F12 N9.1 O9.4 P2 -
Comments: Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules Org. Chem. Front. 1(2) (2014) 167
Space group: P 1 21/c 1
Cell volume: 11983.6
Cell parameters: 31.9644; 18.8421; 19.9426; 90; 93.865; 90;  

COD ID: 1556402
CIF file Formula: - C94.2 H108.4 F36 N14.1 O13.8 P6 -
Comments: Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules Org. Chem. Front. 1(2) (2014) 167
Space group: P 1 21/n 1
Cell volume: 10999
Cell parameters: 13.9167; 25.8857; 30.7364; 90; 96.611; 90;  

COD ID: 1556403
CIF file Formula: - C21 H22 O2 S -
Comments: Peng, Lingling; Zhang, Xiu; Ma, Jie; Wang, Jianbo Ru(ii)-catalyzed rearrangement of the allenic sulfide bearing propargyl moiety: efficient formation of benzene derivatives Org. Chem. Front. 1(3) (2014) 235
Space group: P -1
Cell volume: 920
Cell parameters: 8.7371; 9.2269; 12.186; 89.9; 72.14; 80.18;  

COD ID: 1556404
CIF file Formula: - C20 H21 N3 -
Comments: Kuang, Jinqiang; Chen, Bo; Ma, Shengming Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles Org. Chem. Front. 1(2) (2014) 186
Space group: P b c a
Cell volume: 3377.5
Cell parameters: 15.3067; 12.1443; 18.1692; 90; 90; 90;  

COD ID: 1556405
CIF file Formula: - C21 H16 I N3 -
Comments: Kuang, Jinqiang; Chen, Bo; Ma, Shengming Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles Org. Chem. Front. 1(2) (2014) 186
Space group: P 1 21/c 1
Cell volume: 1809.6
Cell parameters: 12.2051; 18.0249; 8.7754; 90; 110.387; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.