Crystallography Open Database

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Searching journal of publication like 'Organic Chemistry Frontiers' volume of publication is 3

COD ID: 1553182
CIF file Formula: - C20 H19 N O7 -
Comments: Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V. Cu-catalyzed sequential C–N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones Organic Chemistry Frontiers 3(1) (2016) 43
Space group: P 1 21/c 1
Cell volume: 1828.93
Cell parameters: 11.3454; 13.013; 12.3899; 90; 91.009; 90;  

COD ID: 1553195
CIF file Formula: - C24 H22 N4 O4 -
Comments: Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach Organic Chemistry Frontiers 3(1) (2016) 24
Space group: P 21 21 21
Cell volume: 1962.58
Cell parameters: 7.6889; 15.5382; 16.4272; 90; 90; 90;  

COD ID: 1553196
CIF file Formula: - C24 H26 N4 O6 -
Comments: Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach Organic Chemistry Frontiers 3(1) (2016) 24
Space group: P -1
Cell volume: 1104.44
Cell parameters: 9.32; 10.5489; 12.1772; 95.818; 90.49; 111.805;  

COD ID: 1553197
CIF file Formula: - C15 H24 Br N O5 -
Comments: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers 3(3) (2016) 330
Space group: P -1
Cell volume: 811.83
Cell parameters: 8.8508; 10.0352; 10.7879; 116.066; 107.114; 90.5266;  

COD ID: 1553198
CIF file Formula: - C14 H23 Cl2 N O5 -
Comments: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers 3(3) (2016) 330
Space group: P 1 21/n 1
Cell volume: 1670
Cell parameters: 11.7775; 8.7429; 16.8595; 90; 105.852; 90;  

COD ID: 1553199
CIF file Formula: - C13 H19 N O4 -
Comments: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers 3(3) (2016) 330
Space group: P 1 21/n 1
Cell volume: 1268.29
Cell parameters: 11.3134; 9.429; 12.7345; 90; 110.991; 90;  

COD ID: 1553200
CIF file Formula: - C15 H21 N O4 -
Comments: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers 3(3) (2016) 330
Space group: P 1 21/c 1
Cell volume: 2773.26
Cell parameters: 17.0197; 16.271; 10.1414; 90; 99.0774; 90;  

COD ID: 1553201
CIF file Formula: - C13 H19 N O5 -
Comments: Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S. Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates Organic Chemistry Frontiers 3(3) (2016) 330
Space group: P 1 21/n 1
Cell volume: 1261.57
Cell parameters: 10.9816; 9.2222; 13.0751; 90; 107.689; 90;  

COD ID: 1553202
CIF file Formula: - C25 H32 Cl Ir N2 -
Comments: Tang, Guo-Dong; Pan, Cheng-Ling; Li, Xingwei Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C‒H activation Organic Chemistry Frontiers 3(1) (2016) 87
Space group: P 1 21/n 1
Cell volume: 2428.1
Cell parameters: 13.083; 9.848; 18.876; 90; 93.26; 90;  

COD ID: 1553203
CIF file Formula: - C27 H29 N O2 -
Comments: Roy, Tony; Bhojgude, Sachin Suresh; Kaicharla, Trinadh; Thangaraj, Manikandan; Garai, Bikash; Biju, Akkattu T. Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines Organic Chemistry Frontiers 3(1) (2016) 71
Space group: P 1 21/c 1
Cell volume: 2280.06
Cell parameters: 15.5737; 12.7774; 11.4615; 90; 91.399; 90;  

COD ID: 1553204
CIF file Formula: - C12 H14 O2 -
Comments: Ling, Jesse; Lam, Sze Kui; Lo, Brian; Lam, Sarah; Wong, Wing-Tak; Sun, Jian; Chen, Guanhua; Chiu, Pauline Epoxy and aziridinyl enolsilanes in diastereoselective inter- and intramolecular Friedel–Crafts alkylations Organic Chemistry Frontiers 3(4) (2016) 457
Space group: P 1 21/c 1
Cell volume: 1035.5
Cell parameters: 9.8964; 7.7982; 13.421; 90; 91.267; 90;  

COD ID: 1553205
CIF file Formula: - C22 H20 Cl N O2 S -
Comments: Prabagar, B.; Nayak, Sanatan; Mallick, Rajendra K.; Prasad, Rangu; Sahoo, Akhila K. Triphenylphosphine promoted regio and stereoselective α-halogenation of ynamides Organic Chemistry Frontiers 3(1) (2016) 110
Space group: I 1 a 1
Cell volume: 2027.77
Cell parameters: 11.4861; 14.0594; 13.486; 90; 111.393; 90;  

COD ID: 1553206
CIF file Formula: - C27 H28 Br N3 O7 S -
Comments: Gerten, Anthony L.; Stanley, Levi M. Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters Organic Chemistry Frontiers 3(3) (2016) 339
Space group: P 1 21 1
Cell volume: 1377.78
Cell parameters: 11.0065; 8.788; 14.4392; 90; 99.424; 90;  

COD ID: 1553207
CIF file Formula: - C36 H29 Cl O6 -
Comments: Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters Organic Chemistry Frontiers 3(2) (2016) 145
Space group: P 21 21 21
Cell volume: 2893
Cell parameters: 6.2154; 20.2473; 22.9882; 90; 90; 90;  

COD ID: 1553208
CIF file Formula: - C24 H25 N3 O2 -
Comments: Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes Organic Chemistry Frontiers 3(2) (2016) 184
Space group: P -1
Cell volume: 1057.3
Cell parameters: 7.1121; 8.5933; 18.426; 94.339; 100.719; 105.418;  

COD ID: 1553209
CIF file Formula: - C28 H26 N2 O3 -
Comments: Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes Organic Chemistry Frontiers 3(2) (2016) 184
Space group: P 1 21/c 1
Cell volume: 2289
Cell parameters: 15.8733; 11.8466; 12.3385; 90; 99.402; 90;  

COD ID: 1553210
CIF file Formula: - C22 H24 Br2 N2 -
Comments: Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I) Organic Chemistry Frontiers 3(3) (2016) 324
Space group: P -1
Cell volume: 985.63
Cell parameters: 9.1241; 10.2171; 11.3635; 78.194; 82.379; 72.418;  

COD ID: 1553211
CIF file Formula: - C20 H22 N2 -
Comments: Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I) Organic Chemistry Frontiers 3(3) (2016) 324
Space group: P -1
Cell volume: 787.06
Cell parameters: 7.4987; 7.9073; 14.5997; 77.721; 79.566; 69.529;  

COD ID: 1553212
CIF file Formula: - C22 H32 N2 O4 -
Comments: Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine Organic Chemistry Frontiers 3(1) (2016) 62
Space group: P 21 21 21
Cell volume: 2168.5
Cell parameters: 10.016; 10.025; 21.596; 90; 90; 90;  

COD ID: 1553213
CIF file Formula: - C17 H25 Cl N2 O2 -
Comments: Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine Organic Chemistry Frontiers 3(1) (2016) 62
Space group: C 2 2 21
Cell volume: 3332.9
Cell parameters: 10.351; 11.942; 26.963; 90; 90; 90;  

COD ID: 1553214
CIF file Formula: - C23 H27 Cl6 I N2 -
Comments: Desens, Willi; Kohrt, Christina; Spannenberg, Anke; Werner, Thomas A novel zinc based binary catalytic system for CO2utilization under mild conditions Organic Chemistry Frontiers 3(2) (2016) 156
Space group: P 1 21/n 1
Cell volume: 2877.7
Cell parameters: 12.0005; 9.4272; 25.9285; 90; 101.178; 90;  

COD ID: 1553215
CIF file Formula: - C16 H17 Cl2 N O4 -
Comments: Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis Organic Chemistry Frontiers 3(3) (2016) 319
Space group: P 21 21 21
Cell volume: 1669.35
Cell parameters: 8.3061; 9.701; 20.7173; 90; 90; 90;  

COD ID: 1553216
CIF file Formula: - C16 H17 Br2 N O4 -
Comments: Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis Organic Chemistry Frontiers 3(3) (2016) 319
Space group: P 1 21 1
Cell volume: 865.84
Cell parameters: 8.3327; 9.5492; 11.4501; 90; 108.133; 90;  

COD ID: 1553217
CIF file Formula: - C20 H16 O5 -
Comments: Zhang, Wen-Zhen; Yang, Ming-Wang; Yang, Xu-Tong; Shi, Ling-Long; Wang, Hui-Bo; Lu, Xiao-Bing Double carboxylation of o-alkynyl acetophenone with carbon dioxide Organic Chemistry Frontiers 3(2) (2016) 217
Space group: P -1
Cell volume: 838.83
Cell parameters: 7.1154; 11.1585; 11.1645; 107.811; 95.51; 91.238;  

COD ID: 1553218
CIF file Formula: - C25 H27 N O2 S -
Comments: Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones Organic Chemistry Frontiers 3(2) (2016) 259
Space group: P 1 21/n 1
Cell volume: 2238.1
Cell parameters: 8.6446; 10.8046; 24.326; 90; 99.922; 90;  

COD ID: 1553219
CIF file Formula: - C20 H28 O2 Si -
Comments: Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers 3(3) (2016) 354
Space group: P 1 21/n 1
Cell volume: 1887.7
Cell parameters: 7.5687; 30.831; 8.0907; 90; 90.916; 90;  

COD ID: 1553220
CIF file Formula: - C14 H11 F3 O -
Comments: Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers 3(3) (2016) 354
Space group: P -1
Cell volume: 1139.24
Cell parameters: 7.3733; 11.2959; 14.9182; 109.524; 92.663; 101.436;  

COD ID: 1553221
CIF file Formula: - C14 H12 O3 -
Comments: Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers 3(3) (2016) 354
Space group: P 1 2/c 1
Cell volume: 2154.92
Cell parameters: 15.9874; 10.2887; 13.7969; 90; 108.28; 90;  

COD ID: 1553222
CIF file Formula: - C14 H13 F O -
Comments: Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers 3(3) (2016) 354
Space group: P b c a
Cell volume: 2241
Cell parameters: 34.01; 9.158; 7.196; 90; 90; 90;  

COD ID: 1553223
CIF file Formula: - C34 H24 N P -
Comments: Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses Organic Chemistry Frontiers 3(2) (2016) 273
Space group: P -1
Cell volume: 1299.22
Cell parameters: 9.9764; 11.8382; 12.5698; 115.716; 100.125; 93.876;  

COD ID: 1553224
CIF file Formula: - C19 H16 F N O5 S -
Comments: Yu, Jin-Sheng; Zhou, Jian Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines Organic Chemistry Frontiers 3(3) (2016) 298
Space group: P 21 21 21
Cell volume: 1775.6
Cell parameters: 10.342; 12.672; 13.549; 90; 90; 90;  

COD ID: 1553225
CIF file Formula: - C17 H14 F2 N2 O4 S -
Comments: Yu, Jin-Sheng; Zhou, Jian Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines Organic Chemistry Frontiers 3(3) (2016) 298
Space group: P 21 21 21
Cell volume: 1622.59
Cell parameters: 7.1956; 9.6833; 23.2873; 90; 90; 90;  

COD ID: 1553226
CIF file Formula: - C23 H14 Cl2 N2 O -
Comments: Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers 3(3) (2016) 344
Space group: P 1 21/c 1
Cell volume: 1857.78
Cell parameters: 8.9936; 20.9137; 10.6975; 90; 112.585; 90;  

COD ID: 1553227
CIF file Formula: - C24 H14 Cl2 N2 O2 -
Comments: Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers 3(3) (2016) 344
Space group: P -1
Cell volume: 994.7
Cell parameters: 6.3775; 12.1686; 13.4121; 80.819; 88.955; 75.537;  

COD ID: 1553228
CIF file Formula: - C24 H14 Cl2 N2 O2 -
Comments: Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers 3(3) (2016) 344
Space group: P -1
Cell volume: 1052.7
Cell parameters: 5.2005; 13.556; 15.6215; 73.584; 85.49; 87.12;  

COD ID: 1553229
CIF file Formula: - C24 H17 Cl N2 O2 -
Comments: Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives Organic Chemistry Frontiers 3(3) (2016) 344
Space group: P 21 21 21
Cell volume: 1981.2
Cell parameters: 8.0462; 9.2337; 26.6656; 90; 90; 90;  

COD ID: 1553230
CIF file Formula: - C20 H15 N3 O3 -
Comments: Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G. Palladium-catalyzed arylation of β-methylene C(sp3)–H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids Organic Chemistry Frontiers 3(5) (2016) 561
Space group: I 1 2/a 1
Cell volume: 3258
Cell parameters: 13.6461; 10.723; 22.268; 90; 90.915; 90;  

COD ID: 1553231
CIF file Formula: - C23 H18 N2 O5 -
Comments: Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids Organic Chemistry Frontiers 3(4) (2016) 470
Space group: P 1 21 1
Cell volume: 1011.32
Cell parameters: 7.6839; 11.0556; 12.4153; 90; 106.486; 90;  

COD ID: 1553232
CIF file Formula: - C38 H34 N O4 P S -
Comments: Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang Metal-free oxidative hydrophosphinylation of 1,7-enynes Organic Chemistry Frontiers 3(3) (2016) 385
Space group: P 1 21/c 1
Cell volume: 3619.6
Cell parameters: 13.83; 21.2702; 14.1309; 90; 119.452; 90;  

COD ID: 1553233
CIF file Formula: - C13 H14 Br N O3 S -
Comments: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers 3(4) (2016) 447
Space group: P 1 21/c 1
Cell volume: 2838.5
Cell parameters: 20.218; 9.2121; 15.306; 90; 95.315; 90;  

COD ID: 1553234
CIF file Formula: - C13 H14 Br N O3 S -
Comments: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers 3(4) (2016) 447
Space group: P -1
Cell volume: 667.1
Cell parameters: 7.8592; 9.0905; 9.748; 79.19; 89.1; 77.31;  

COD ID: 1553235
CIF file Formula: - C16 H14 Br N O3 S -
Comments: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers 3(4) (2016) 447
Space group: P 1 21/c 1
Cell volume: 1585.2
Cell parameters: 11.83; 9.2659; 14.59; 90; 97.6; 90;  

COD ID: 1553236
CIF file Formula: - C16 H14 Br N O3 S -
Comments: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers 3(4) (2016) 447
Space group: P -1
Cell volume: 792.3
Cell parameters: 8.3045; 9.415; 11.19; 87.089; 73.797; 70.74;  

COD ID: 1553237
CIF file Formula: - C16 H14 Br N O3 S -
Comments: Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins Organic Chemistry Frontiers 3(4) (2016) 447
Space group: P 1 21/c 1
Cell volume: 1527.1
Cell parameters: 15.825; 8.982; 11.426; 90; 109.905; 90;  

COD ID: 1553238
CIF file Formula: - C22 H25 N O3 -
Comments: Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi Pd(ii)-catalyzed β-C–H arylation of O-methyl ketoximes with iodoarenes Organic Chemistry Frontiers 3(3) (2016) 380
Space group: P 1 21 1
Cell volume: 1965.7
Cell parameters: 8.1343; 27.626; 8.8172; 90; 97.223; 90;  

COD ID: 1553418
CIF file Formula: - C21 H15 Br F N O -
Comments: Sheng, Jinyu; Su, Xiang; Cao, Chengyao; Chen, Chao Synthesis of benzo[1,3]oxazines via copper(i)-catalyzed cascade annulation of nitriles, aldehydes and diaryliodonium salts Organic Chemistry Frontiers 3(4) (2016) 501
Space group: P -1
Cell volume: 862
Cell parameters: 5.9396; 11.302; 13.413; 96.05; 99.59; 101.21;  

COD ID: 1553419
CIF file Formula: - C28 H22 F3 N O5 -
Comments: Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels–Alder reactions of olefinic azlactones Organic Chemistry Frontiers 3(5) (2016) 598
Space group: P 21 21 21
Cell volume: 2532.46
Cell parameters: 9.1158; 9.8126; 28.3116; 90; 90; 90;  

COD ID: 1553420
CIF file Formula: - C25 H48 N2 O5 S Si -
Comments: Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline Organic Chemistry Frontiers 3(6) (2016) 683
Space group: P 1 21 1
Cell volume: 1500.64
Cell parameters: 12.5809; 8.9728; 13.319; 90; 93.554; 90;  

COD ID: 1553421
CIF file Formula: - C20 H28 Cl N2 O4.5 S -
Comments: Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline Organic Chemistry Frontiers 3(6) (2016) 683
Space group: P 21 21 21
Cell volume: 4439.8
Cell parameters: 11.701; 14.628; 25.939; 90; 90; 90;  

COD ID: 1553422
CIF file Formula: - C250 H238 F24 N18 O12 P4 Ru2 -
Comments: Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 661
Space group: P n n n :2
Cell volume: 24644.5
Cell parameters: 22.824; 22.583; 47.813; 90; 90; 90;  

COD ID: 1553423
CIF file Formula: - C90 H102 F12 N10 O8 P2 Ru -
Comments: Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 661
Space group: P 1 21/n 1
Cell volume: 9682.3
Cell parameters: 20.3614; 15.5902; 30.5936; 90; 94.4504; 90;  

COD ID: 1553424
CIF file Formula: - C102 H130 F12 N10 O26 S4 Zn2 -
Comments: Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 661
Space group: P -1
Cell volume: 2856.3
Cell parameters: 11.0301; 12.3939; 21.8715; 76.878; 78.788; 87.305;  

COD ID: 1553425
CIF file Formula: - C155 H166 Cl22 F24 N12 O12 P4 Ru2 -
Comments: Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S. Conformations of large macrocycles and ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 661
Space group: P -1
Cell volume: 4512.9
Cell parameters: 15.004; 15.1525; 21.5611; 98.4023; 98.0121; 108.321;  

COD ID: 1553426
CIF file Formula: - C98 H98 Br2 F12 N16 O10 P2 Ru -
Comments: Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S. Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 667
Space group: P 1 21/n 1
Cell volume: 9660.8
Cell parameters: 14.556; 24.668; 26.949; 90; 93.27; 90;  

COD ID: 1553427
CIF file Formula: - C180 H194 F24 N22 O18 P4 Ru2 -
Comments: Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S. Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes Organic Chemistry Frontiers 3(6) (2016) 667
Space group: P -1
Cell volume: 4571.45
Cell parameters: 13.6711; 16.967; 22.4266; 71.073; 82.622; 68.288;  

COD ID: 1553428
CIF file Formula: - C14 H16 O5 -
Comments: Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds Organic Chemistry Frontiers 3(6) (2016) 714
Space group: P 1 21/c 1
Cell volume: 1273.63
Cell parameters: 19.5895; 7.0388; 9.2405; 90; 91.626; 90;  

COD ID: 1553429
CIF file Formula: - C14 H16 O5 -
Comments: Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds Organic Chemistry Frontiers 3(6) (2016) 714
Space group: P 1 21/c 1
Cell volume: 1303.91
Cell parameters: 8.144; 14.5913; 11.013; 90; 94.901; 90;  

COD ID: 1553430
CIF file Formula: - C17 H16 Cl N O2 -
Comments: Vyas, Vijyesh K.; Bhanage, Bhalchandra M. Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions Organic Chemistry Frontiers 3(5) (2016) 614
Space group: P 21 21 21
Cell volume: 1460.81
Cell parameters: 8.1449; 10.8999; 16.4545; 90; 90; 90;  

COD ID: 1553431
CIF file Formula: - C31 H28 N4 O3 -
Comments: Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines Organic Chemistry Frontiers 3(6) (2016) 709
Space group: P 1 21 1
Cell volume: 1382
Cell parameters: 9.837; 10.113; 14.456; 90; 106.063; 90;  

COD ID: 1553432
CIF file Formula: - C23 H15 Cl3 N2 O2 -
Comments: Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling Organic Chemistry Frontiers 3(7) (2016) 799
Space group: P c a 21
Cell volume: 1895
Cell parameters: 7.7032; 16.441; 14.9629; 90; 90; 90;  

COD ID: 1553433
CIF file Formula: - C21 H12 Cl N3 O2 -
Comments: Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling Organic Chemistry Frontiers 3(7) (2016) 799
Space group: P -1
Cell volume: 859.9
Cell parameters: 7.147; 7.9449; 16.405; 101.767; 96.018; 106.731;  

COD ID: 1553434
CIF file Formula: - C16 H11 Br O2 -
Comments: Qiu, Guanyinsheng; Liu, Tong; Ding, Qiuping Tandem oxidative radical brominative addition of activated alkynes and spirocyclization: switchable synthesis of 3-bromocoumarins and 3-bromo spiro-[4,5] trienone Organic Chemistry Frontiers 3(4) (2016) 510
Space group: P 1 21/c 1
Cell volume: 1329.6
Cell parameters: 9.986; 15.521; 8.74; 90; 101.027; 90;  

COD ID: 1553435
CIF file Formula: - C37 H24 O3 -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: P -1
Cell volume: 1301
Cell parameters: 6.3266; 11.3868; 18.6894; 94.305; 99.144; 100.166;  

COD ID: 1553436
CIF file Formula: - C37 H26 O2 -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: P -1
Cell volume: 1289.2
Cell parameters: 6.514; 11.9444; 17.215; 93.28; 94.949; 104.241;  

COD ID: 1553437
CIF file Formula: - C38 H27 N O3.5 -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: P -1
Cell volume: 2864.3
Cell parameters: 12.8713; 12.9061; 18.4438; 83.491; 70.221; 87.197;  

COD ID: 1553438
CIF file Formula: - C41 H34 O6 -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: P 1 21/c 1
Cell volume: 3128.8
Cell parameters: 9.5936; 9.4163; 34.688; 90; 93.15; 90;  

COD ID: 1553439
CIF file Formula: - C38 H26 O2 -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: P -1
Cell volume: 1343.4
Cell parameters: 9.837; 10.766; 13.71; 87.68; 77.4; 71.54;  

COD ID: 1553440
CIF file Formula: - C29 H20 O -
Comments: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes Organic Chemistry Frontiers 3(5) (2016) 603
Space group: C 1 2/c 1
Cell volume: 3976
Cell parameters: 26.128; 8.1552; 21.487; 90; 119.724; 90;  

COD ID: 1553441
CIF file Formula: - C71 H64 O24 -
Comments: Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling Organic Chemistry Frontiers 3(5) (2016) 537
Space group: P 1 21/c 1
Cell volume: 3018.37
Cell parameters: 19.7803; 8.925; 17.1219; 90; 93.062; 90;  

COD ID: 1553442
CIF file Formula: - C20 H24 N2 -
Comments: Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles Organic Chemistry Frontiers 3(5) (2016) 609
Space group: P 1 21/n 1
Cell volume: 1652.03
Cell parameters: 13.1094; 8.943; 14.6031; 90; 105.214; 90;  

COD ID: 1553443
CIF file Formula: - C23 H24 N2 S -
Comments: Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles Organic Chemistry Frontiers 3(5) (2016) 609
Space group: P 1 21/n 1
Cell volume: 1869.65
Cell parameters: 11.6939; 9.4598; 16.9069; 90; 91.481; 90;  

COD ID: 1553444
CIF file Formula: - C16 H16 O3 S -
Comments: Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group Organic Chemistry Frontiers 3(7) (2016) 795
Space group: P 21 21 21
Cell volume: 1524.06
Cell parameters: 5.9262; 8.0475; 31.957; 90; 90; 90;  

COD ID: 1553445
CIF file Formula: - C23 H20 Br2 N2 O2 -
Comments: Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone Organic Chemistry Frontiers 3(6) (2016) 759
Space group: P 1 21/n 1
Cell volume: 2124.4
Cell parameters: 13.4028; 11.2931; 14.0439; 90; 91.99; 90;  

COD ID: 1553446
CIF file Formula: - C36 H56 Au Cl N O P S -
Comments: Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone Organic Chemistry Frontiers 3(6) (2016) 759
Space group: P 1 21 1
Cell volume: 3553.2
Cell parameters: 12.5457; 22.382; 12.6621; 90; 92.052; 90;  

COD ID: 1553447
CIF file Formula: - C26 H21 N O3 S -
Comments: Gong, Xinxing; Xia, Hongguang; Wu, Jie A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones Organic Chemistry Frontiers 3(6) (2016) 697
Space group: C 1 2/c 1
Cell volume: 4170
Cell parameters: 21.51; 10.73; 19.7; 90; 113.492; 90;  

COD ID: 1553448
CIF file Formula: - C23 H21 F N4 -
Comments: Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles Organic Chemistry Frontiers 3(6) (2016) 744
Space group: P -1
Cell volume: 3917.7
Cell parameters: 10.5273; 11.4221; 34.217; 90.072; 98.137; 105.697;  

COD ID: 1553449
CIF file Formula: - C32 H25 N O6 -
Comments: Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes Organic Chemistry Frontiers 3(7) (2016) 861
Space group: P 21 21 21
Cell volume: 2636.81
Cell parameters: 9.02156; 9.44417; 30.948; 90; 90; 90;  

COD ID: 1553450
CIF file Formula: - C21 H13 N S -
Comments: Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles Organic Chemistry Frontiers 3(7) (2016) 870
Space group: P -1
Cell volume: 752.6
Cell parameters: 7.187; 10.356; 11.075; 66.214; 86.273; 89.284;  

COD ID: 1553451
CIF file Formula: - C22 H17 N O2 S -
Comments: Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles Organic Chemistry Frontiers 3(7) (2016) 870
Space group: P -1
Cell volume: 1786.1
Cell parameters: 11.0789; 11.6353; 16.29; 93.084; 106.29; 115.259;  

COD ID: 1553452
CIF file Formula: - C19 H17 N O5 -
Comments: Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J. Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling–isomerization–elimination (CIE) sequence Organic Chemistry Frontiers 3(7) (2016) 887
Space group: P 1 21/n 1
Cell volume: 3275.9
Cell parameters: 13.5013; 18.6052; 13.6121; 90; 106.649; 90;  

COD ID: 1553453
CIF file Formula: - C48 H53 Cl2 N3 O6 Ru S -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: P 1 21/c 1
Cell volume: 9063
Cell parameters: 8.4973; 40.566; 26.516; 90; 97.469; 90;  

COD ID: 1553454
CIF file Formula: - C44 H49 Cl2 N3 O3 Ru S -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: P n a 21
Cell volume: 4227.3
Cell parameters: 16.8326; 12.2762; 20.4575; 90; 90; 90;  

COD ID: 1553455
CIF file Formula: - C40 H47 Cl2 N3 O4 Ru S -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: P 1 21/c 1
Cell volume: 3957.3
Cell parameters: 11.3136; 21.889; 16.102; 90; 97.063; 90;  

COD ID: 1553456
CIF file Formula: - C36 H46 Cl2 N2 O3 Ru -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: P 1 21/c 1
Cell volume: 3552
Cell parameters: 20.114; 8.8782; 20.665; 90; 105.736; 90;  

COD ID: 1553457
CIF file Formula: - C22 H26 Cl3 N2 O Ru -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: P 21 21 2
Cell volume: 2328.1
Cell parameters: 12.073; 18.008; 10.7084; 90; 90; 90;  

COD ID: 1553458
CIF file Formula: - C42 H43 Cl2 N3 O4 Ru S -
Comments: Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes Organic Chemistry Frontiers 3(8) (2016) 939
Space group: R -3 :H
Cell volume: 20670
Cell parameters: 40.354; 40.354; 14.657; 90; 90; 120;  

COD ID: 1553459
CIF file Formula: - C14 H10 F12 N2 -
Comments: Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K. A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones Organic Chemistry Frontiers 3(7) (2016) 841
Space group: P 1 21/n 1
Cell volume: 1644.8
Cell parameters: 10.0639; 8.163; 20.469; 90; 101.995; 90;  

COD ID: 1553460
CIF file Formula: - C27 H26 Cl2 F3 N7 S -
Comments: Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers 3(7) (2016) 880
Space group: P b c a
Cell volume: 5608
Cell parameters: 16.558; 17.307; 19.571; 90; 90; 90;  

COD ID: 1553461
CIF file Formula: - C27 H23 F6 N7 S2 -
Comments: Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers 3(7) (2016) 880
Space group: P -1
Cell volume: 1421.3
Cell parameters: 9.817; 11.968; 13.149; 102.73; 99.17; 104.43;  

COD ID: 1553462
CIF file Formula: - C27 H23 F6 N7 S2 -
Comments: Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers 3(7) (2016) 880
Space group: P 1 21/c 1
Cell volume: 2735.8
Cell parameters: 14.717; 15.564; 12.282; 90; 103.48; 90;  

COD ID: 1553463
CIF file Formula: - C17 H25 Cl2 N3 O4 S -
Comments: Zhou, Kaida; Xia, Hongguang; Wu, Jie Generation of (2-oxoindolin-3-yl)methanesulfonohydrazides via a photo-induced reaction of N-(2-iodoaryl)acrylamide, DABSO, and hydrazine Organic Chemistry Frontiers 3(7) (2016) 865
Space group: P -1
Cell volume: 1065.4
Cell parameters: 10.82; 10.975; 11.163; 74.634; 62.808; 65.132;  

COD ID: 1553464
CIF file Formula: - C22 H18 F3 N O6 -
Comments: Li, Zong-Rui; Bao, Xing-Xing; Sun, Jian; Shen, Jing; Wu, Dun-Qi; Liu, Yan-Kai; Deng, Qing-Hai; Liu, Feng Iron-catalyzed trifluoromethylation of vinylcyclopropanes: facile synthesis of CF3–containing dihydronaphthalene derivatives Organic Chemistry Frontiers 3(8) (2016) 934
Space group: P -1
Cell volume: 2043.8
Cell parameters: 11.266; 12.1474; 16.278; 73.095; 73.52; 84.96;  

COD ID: 1553465
CIF file Formula: - C16 H16 B N3 O2 -
Comments: Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S. “Click-fluors”: triazole-linked saccharide sensors Organic Chemistry Frontiers 3(8) (2016) 918
Space group: I 1 2/a 1
Cell volume: 2926.05
Cell parameters: 25.856; 5.37038; 21.5154; 90; 101.646; 90;  

COD ID: 1553466
CIF file Formula: - C24 H24 B N3 O4 -
Comments: Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S. “Click-fluors”: triazole-linked saccharide sensors Organic Chemistry Frontiers 3(8) (2016) 918
Space group: P -1
Cell volume: 1053.43
Cell parameters: 7.1065; 9.0913; 17.685; 81.994; 84.409; 68.79;  

COD ID: 1553467
CIF file Formula: - C14 H10 Br N O2 -
Comments: Zhang, Xu; Xu, Bin; Xu, Ming-Hua Rhodium-catalyzed asymmetric arylation of N- and O-containing cyclic aldimines: facile and efficient access to highly optically active 3,4-dihydrobenzo[1,4]oxazin-2-ones and dihydroquinoxalinones Organic Chemistry Frontiers 3(8) (2016) 944
Space group: P 21 21 21
Cell volume: 1181.7
Cell parameters: 4.4197; 11.6677; 22.915; 90; 90; 90;  

COD ID: 1553468
CIF file Formula: - C14 H15 Cl N2 Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P 1 c 1
Cell volume: 1322.9
Cell parameters: 9.4647; 12.7252; 11.5908; 90; 108.624; 90;  

COD ID: 1553469
CIF file Formula: - C16 H19 Cl N2 Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P 1 21/c 1
Cell volume: 2958.7
Cell parameters: 9.6575; 11.675; 26.2578; 90; 92.079; 90;  

COD ID: 1553470
CIF file Formula: - C16 H17 Cl N2 O Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P 1 21/n 1
Cell volume: 1446.33
Cell parameters: 6.9704; 17.1706; 12.2014; 90; 97.943; 90;  

COD ID: 1553471
CIF file Formula: - C24 H19 Cl N O P Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P 1 21/n 1
Cell volume: 1992.95
Cell parameters: 12.2558; 9.9099; 17.4367; 90; 109.768; 90;  

COD ID: 1553472
CIF file Formula: - C23 H17 Cl N O P Pd -
Comments: Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle Organic Chemistry Frontiers 3(8) (2016) 957
Space group: P -1
Cell volume: 966.47
Cell parameters: 9.0641; 9.6782; 12.7031; 91.535; 108.207; 112.231;  

COD ID: 1553473
CIF file Formula: - C25 H17 N O S -
Comments: Singh, Radhey M.; Kumar, Ritush; Bharadwaj, Kishor Chandra; Gupta, Tanu Pd catalyzed facile synthesis of cyclopenta[b]quinolin-1-one via sequential Sonogashira coupling and annulation. An unusual mode of ring closure, using sulphur as a soft nucleophile Organic Chemistry Frontiers 3(9) (2016) 1100
Space group: P 1 21/n 1
Cell volume: 1923
Cell parameters: 5.4373; 22.5643; 15.678; 90; 91.295; 90;  

COD ID: 1553474
CIF file Formula: - C36 H26 -
Comments: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores Organic Chemistry Frontiers 3(9) (2016) 1091
Space group: P -1
Cell volume: 1251.4
Cell parameters: 9.2253; 12.0172; 12.8207; 65.023; 76.245; 83.655;  

COD ID: 1553475
CIF file Formula: - C32 H24 -
Comments: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores Organic Chemistry Frontiers 3(9) (2016) 1091
Space group: P 1 21/n 1
Cell volume: 2268.6
Cell parameters: 9.4248; 9.6366; 25.0543; 90; 94.474; 90;  

COD ID: 1553476
CIF file Formula: - C40 H28 -
Comments: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores Organic Chemistry Frontiers 3(9) (2016) 1091
Space group: P 1 21/c 1
Cell volume: 2772.7
Cell parameters: 16.4844; 9.1722; 19.225; 90; 107.472; 90;  

COD ID: 1553477
CIF file Formula: - C40 H28 -
Comments: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores Organic Chemistry Frontiers 3(9) (2016) 1091
Space group: P 1 21/n 1
Cell volume: 2739.83
Cell parameters: 11.3717; 15.9519; 15.1309; 90; 93.429; 90;  

COD ID: 1553478
CIF file Formula: - C42 H28 -
Comments: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores Organic Chemistry Frontiers 3(9) (2016) 1091
Space group: P 1 21/c 1
Cell volume: 2860.89
Cell parameters: 9.5798; 10.2198; 29.4004; 90; 96.324; 90;  

COD ID: 1553479
CIF file Formula: - C28 H23 Cl N4 O7 -
Comments: Li, Jun-Hua; Cui, Zhi-Hao; Du, Da-Ming Diastereo- and enantioselective construction of cyclohexanone-fused spirospyrazolones containing four consecutive stereocenters through asymmetric sequential reactions Organic Chemistry Frontiers 3(9) (2016) 1087
Space group: P 1 21 1
Cell volume: 2648
Cell parameters: 12.766; 16.24; 13.427; 90; 107.96; 90;  

COD ID: 1553480
CIF file Formula: - C17 H22 O2 -
Comments: Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers Organic Chemistry Frontiers 3(8) (2016) 999
Space group: P 1 21/c 1
Cell volume: 2843.2
Cell parameters: 11.7876; 19.8876; 12.1607; 90; 94.193; 90;  

COD ID: 1553481
CIF file Formula: - C17 H22 O2 -
Comments: Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers Organic Chemistry Frontiers 3(8) (2016) 999
Space group: P 1 21/c 1
Cell volume: 5774.6
Cell parameters: 19.1606; 13.3348; 23.8068; 90; 108.315; 90;  

COD ID: 1553482
CIF file Formula: - C23 H27 N O6 S -
Comments: Duan, Shuangshuang; Long, Dan; Zhao, Changgui; Zhao, Gaoyuan; Yuan, Ziyun; Xie, Xingang; Fang, Jianguo; She, Xuegong Efficient construction of the A/C/D tricyclic skeleton of palhinine A Organic Chemistry Frontiers 3(9) (2016) 1137
Space group: P 1 21/n 1
Cell volume: 2176.1
Cell parameters: 8.2306; 9.8924; 26.999; 90; 98.152; 90;  

COD ID: 1553483
CIF file Formula: - C23 H19 Br O -
Comments: Liu, Yu; Zhao, Peng; Zhang, Bo; Xi, Chanjuan MeOTf-catalyzed annulation of aldehydes and arylalkynes leading to 2,3-disubstituted indanones Organic Chemistry Frontiers 3(9) (2016) 1116
Space group: P 1 21/n 1
Cell volume: 1807.7
Cell parameters: 10.005; 9.977; 18.125; 90; 92.34; 90;  

COD ID: 1553484
CIF file Formula: - C23 H20 S -
Comments: Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K. Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes Organic Chemistry Frontiers 3(9) (2016) 1126
Space group: P -1
Cell volume: 902.7
Cell parameters: 9.756; 10.716; 10.881; 65.921; 68.07; 63.361;  

COD ID: 1553485
CIF file Formula: - C20 H13 F S -
Comments: Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K. Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes Organic Chemistry Frontiers 3(9) (2016) 1126
Space group: P 1 21/c 1
Cell volume: 1502.5
Cell parameters: 6.0606; 13.4845; 18.39; 90; 91.36; 90;  

COD ID: 1553486
CIF file Formula: - C20 H17 F3 I N O -
Comments: An, Yuanyuan; Kuang, Yunyan; Wu, Jie Synthesis of trifluoromethylated 3,4-dihydroquinolin-2(1H)-ones via a photo-induced radical cyclization of benzene-tethered 1,7-enynes with Togni reagent Organic Chemistry Frontiers 3(8) (2016) 994
Space group: C 1 2/c 1
Cell volume: 3642
Cell parameters: 31.8; 8.994; 13.605; 90; 110.595; 90;  

COD ID: 1553487
CIF file Formula: - C21 H19 Br N2 O4 -
Comments: Ma, Qiao; Gong, Lei; Meggers, Eric Enantioselective β-alkylation of pyrroles with the formation of an all-carbon quaternary stereocenter Organic Chemistry Frontiers 3(10) (2016) 1319
Space group: P 21 21 21
Cell volume: 2001.99
Cell parameters: 8.4058; 10.8659; 21.9188; 90; 90; 90;  

COD ID: 1553488
CIF file Formula: - C20 H18 N6 O -
Comments: Liu, Hou-Lu; Jiang, Yu; Hao, Jian; Tang, Xiang-Ying; Shi, Min A new method to access triazole-fused spiro-guanidines from the reaction of isothiocyanates tethered N-sulfonyl-1,2,3-triazoles and amines Organic Chemistry Frontiers 3(11) (2016) 1447
Space group: P 1 21/c 1
Cell volume: 3614.1
Cell parameters: 20.5231; 9.5667; 20.3255; 90; 115.091; 90;  

COD ID: 1553489
CIF file Formula: - C18 H11 I N2 O -
Comments: Wu, Yan-Dong; Geng, Xiao; Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Wu, An-Xin Iodine-promoted sequential dual oxidative Csp3–H amination/Csp3–H iodination reactions: efficient synthesis of 1-iodoimidazo[1,5-a]pyridines Organic Chemistry Frontiers 3(11) (2016) 1430
Space group: P -1
Cell volume: 748.8
Cell parameters: 7.504; 8.467; 13.179; 95.607; 102.6; 110.95;  

COD ID: 1553490
CIF file Formula: - C60 H44 N4 O4 Pd2 -
Comments: Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules Organic Chemistry Frontiers 3(10) (2016) 1286
Space group: P c c n
Cell volume: 16001.7
Cell parameters: 20.2007; 25.2676; 31.3498; 90; 90; 90;  

COD ID: 1553491
CIF file Formula: - C61 H45 Cl3 N4 O4 Pd2 -
Comments: Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules Organic Chemistry Frontiers 3(10) (2016) 1286
Space group: C 1 2/c 1
Cell volume: 10173.2
Cell parameters: 27.6181; 13.0551; 30.802; 90; 113.65; 90;  

COD ID: 1553492
CIF file Formula: - C29 H44 O6 Si -
Comments: Pérez-Estrada, S.; Sayar, N.; Granja, J. R. Towards taxane analogues synthesis by dienyne ring closing metathesis Organic Chemistry Frontiers 3(10) (2016) 1331
Space group: P 21 21 21
Cell volume: 2835.9
Cell parameters: 11.5223; 14.9948; 16.4141; 90; 90; 90;  

COD ID: 1553493
CIF file Formula: - C29 H40 O5 Si -
Comments: Pérez-Estrada, S.; Sayar, N.; Granja, J. R. Towards taxane analogues synthesis by dienyne ring closing metathesis Organic Chemistry Frontiers 3(10) (2016) 1331
Space group: C 1 2 1
Cell volume: 3079.4
Cell parameters: 27.836; 7.8125; 14.1759; 90; 92.711; 90;  

COD ID: 1553494
CIF file Formula: - C17 H14 O2 -
Comments: Cui, Fei-Hu; Su, Shi-Xia; Xu, Yan-li; Liang, Ying; Wang, Heng-shan; Pan, Ying-Ming Capture of CO2 in air for 4,5-disubstituted furan-2(5H)-ones Organic Chemistry Frontiers 3(10) (2016) 1304
Space group: P 1 21/c 1
Cell volume: 1363
Cell parameters: 13.6594; 5.9624; 17.4715; 90; 106.688; 90;  

COD ID: 1553495
CIF file Formula: - C38 H24 Cl2 N2 O6 -
Comments: Wirtanen, T.; Muuronen, M.; Hurmalainen, J.; Tuononen, H. M.; Nieger, M.; Helaja, J. Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B Organic Chemistry Frontiers 3(12) (2016) 1738
Space group: P 1 21/c 1
Cell volume: 3025.56
Cell parameters: 14.2296; 6.2823; 33.8457; 90; 90.358; 90;  

COD ID: 1553496
CIF file Formula: - C62 H61 N7 O20 S4 -
Comments: Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Brancatelli, Giovanna; Geremia, Silvano; Neri, Placido A tetrasulfate-resorcin[6]arene cavitand as the host for organic ammonium guests Organic Chemistry Frontiers 3(10) (2016) 1276
Space group: P 1 21/n 1
Cell volume: 6414
Cell parameters: 13.909; 20.264; 22.762; 90; 91.41; 90;  

COD ID: 1553498
CIF file Formula: - C14 H17 N5 O4 -
Comments: Naik, Siddhi D.; Chandra, Girish; Sahu, Pramod K.; Kim, Hong-Rae; Qu, Shuhao; Yoon, Ji-seong; Jeong, Lak Shin Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents Organic Chemistry Frontiers 3(11) (2016) 1472
Space group: P 21 21 21
Cell volume: 3026.21
Cell parameters: 7.51038; 17.3551; 23.2172; 90; 90; 90;  

COD ID: 1553499
CIF file Formula: - C16 H12 F3 N O2 -
Comments: Mizuta, Satoshi; Otaki, Hiroki; Kitamura, Kanami; Nishi, Kodai; Watanabe, Ken; Makau, Juliann Nzembi; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya 3,3-Dibromo-2-trifluoromethyl acrylic acid ethyl ester: a versatile platform for the stereoselective preparation of functionalized-α-trifluoromethyl α,β-unsaturated lactones and trifluoromethyl pyrazolinones Organic Chemistry Frontiers 3(12) (2016) 1661
Space group: P 1 21/c 1
Cell volume: 1431.4
Cell parameters: 12.057; 8.771; 14.736; 90; 113.287; 90;  

COD ID: 1553500
CIF file Formula: - C17 H10 Cl F3 N2 O -
Comments: Jin, Li-Kun; Lu, Guo-Ping; Cai, Chun Copper-catalyzed 8-amido chelation-induced regioselective C–H fluoroalkylation of quinolines Organic Chemistry Frontiers 3(10) (2016) 1309
Space group: P -1
Cell volume: 740.3
Cell parameters: 8.165; 9.432; 10.126; 85.485; 83.241; 73.145;  

COD ID: 1553501
CIF file Formula: - C24 H15 N -
Comments: Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N–H/C–H coupling Organic Chemistry Frontiers 3(11) (2016) 1520
Space group: P 21 21 21
Cell volume: 1517.89
Cell parameters: 4.8217; 10.1093; 31.14; 90; 90; 90;  

COD ID: 1553502
CIF file Formula: - C22 H13 N S -
Comments: Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N–H/C–H coupling Organic Chemistry Frontiers 3(11) (2016) 1520
Space group: P c a 21
Cell volume: 1481.15
Cell parameters: 16.3471; 11.2916; 8.0242; 90; 90; 90;  

COD ID: 1553503
CIF file Formula: - C23 H24 N2 -
Comments: Liu, Cheng-Guo; Gu, Zheng-Yang; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun An isocyanide insertion approach to substituted pyrrolo[2,3-b]quinolines under metal-free and azide-free conditions Organic Chemistry Frontiers 3(10) (2016) 1299
Space group: P -1
Cell volume: 890.56
Cell parameters: 6.202; 10.169; 14.7158; 75.057; 85.343; 84.132;  

COD ID: 1553504
CIF file Formula: - C22 H25 N2 O4 P -
Comments: Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie Silver(i)-promoted C5–H phosphonation of 8-aminoquinoline amides with H-phosphonates Organic Chemistry Frontiers 3(12) (2016) 1646
Space group: P -1
Cell volume: 1078.45
Cell parameters: 8.9115; 11.1099; 11.8272; 83.858; 86.228; 67.922;  

COD ID: 1553505
CIF file Formula: - C22 H25 N2 O4 P -
Comments: Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie Silver(i)-promoted C5–H phosphonation of 8-aminoquinoline amides with H-phosphonates Organic Chemistry Frontiers 3(12) (2016) 1646
Space group: P c c n
Cell volume: 4345.8
Cell parameters: 15.3031; 18.1046; 15.6855; 90; 90; 90;  

COD ID: 1553506
CIF file Formula: - C31 H27 N2 O2 -
Comments: Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao [2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines Organic Chemistry Frontiers 3(12) (2016) 1725
Space group: P 21 21 21
Cell volume: 4928
Cell parameters: 8.681; 17.323; 32.77; 90; 90; 90;  

COD ID: 1553507
CIF file Formula: - C17 H31 N O4 -
Comments: Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A. Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines Organic Chemistry Frontiers 3(12) (2016) 1651
Space group: P 21 21 2
Cell volume: 1880.2
Cell parameters: 17.643; 16.144; 6.601; 90; 90; 90;  

COD ID: 1553508
CIF file Formula: - C17 H31 N O4 -
Comments: Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A. Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines Organic Chemistry Frontiers 3(12) (2016) 1651
Space group: P 21 21 21
Cell volume: 1795
Cell parameters: 6.03; 16.334; 18.224; 90; 90; 90;  

COD ID: 1553509
CIF file Formula: - C13 H21 N O3 -
Comments: Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A. Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines Organic Chemistry Frontiers 3(12) (2016) 1651
Space group: P 1 21 1
Cell volume: 2574.7
Cell parameters: 10.178; 21.78; 11.615; 90; 90.547; 90;  

COD ID: 1553510
CIF file Formula: - C13 H21 N O3 -
Comments: Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A. Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines Organic Chemistry Frontiers 3(12) (2016) 1651
Space group: P 21 21 21
Cell volume: 1237.73
Cell parameters: 6.078; 10.204; 19.957; 90; 90; 90;  

COD ID: 1553511
CIF file Formula: - C26 H42 N2 O6 -
Comments: Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A. Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines Organic Chemistry Frontiers 3(12) (2016) 1651
Space group: P 1 21 1
Cell volume: 2640.2
Cell parameters: 7.252; 25.57; 14.465; 90; 100.17; 90;  

COD ID: 1553512
CIF file Formula: - C41 H31 Cl2 N O2 -
Comments: Seifert, Sabine; Schmidt, David; Würthner, Frank A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides Organic Chemistry Frontiers 3(11) (2016) 1435
Space group: P -1
Cell volume: 1581.79
Cell parameters: 9.1392; 13.2716; 13.7699; 77.608; 76.026; 84.909;  

COD ID: 1553513
CIF file Formula: - C79 H66 Cl2 N2 O4 -
Comments: Seifert, Sabine; Schmidt, David; Würthner, Frank A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides Organic Chemistry Frontiers 3(11) (2016) 1435
Space group: P 1 21/c 1
Cell volume: 2896.9
Cell parameters: 13.3641; 15.796; 14.8901; 90; 112.839; 90;  

COD ID: 1553514
CIF file Formula: - C24 H20 O2 S -
Comments: Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones Organic Chemistry Frontiers 3(11) (2016) 1452
Space group: P 1 21/n 1
Cell volume: 1920.26
Cell parameters: 9.2961; 10.1519; 20.823; 90; 102.267; 90;  

COD ID: 1553515
CIF file Formula: - C27 H20 O2 S -
Comments: Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones Organic Chemistry Frontiers 3(11) (2016) 1452
Space group: P 1 21/c 1
Cell volume: 2036.7
Cell parameters: 7.0521; 28.03; 10.4649; 90; 100.069; 90;  

COD ID: 1553516
CIF file Formula: - C33 H35 N O4 S -
Comments: Lv, Leiyang; Bai, Xiaohui; Yan, Xiaoyu; Li, Zhiping Iron-catalyzed decarbonylation initiated [2 + 2 + m] annulation of benzene-linked 1,n-enynes with aliphatic aldehydes Organic Chemistry Frontiers 3(11) (2016) 1509
Space group: P 1 21/c 1
Cell volume: 2818.4
Cell parameters: 15.4186; 11.3388; 16.9081; 90; 107.55; 90;  

COD ID: 1553517
CIF file Formula: - C29 H26 N2 O5 S -
Comments: Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula Silver(i)-catalysed domino alkyne-annulation/Diels–Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds Organic Chemistry Frontiers 3(11) (2016) 1503
Space group: P -1
Cell volume: 1270.61
Cell parameters: 8.3151; 8.625; 18.7838; 99.74; 96.686; 104.017;  

COD ID: 1553518
CIF file Formula: - C14 H17 F3 N2 O3 S -
Comments: Li, Yuewen; Xiang, Yuanchao; Li, Zhiming; Wu, Jie Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions Organic Chemistry Frontiers 3(11) (2016) 1493
Space group: P 1 21/n 1
Cell volume: 1692.2
Cell parameters: 8.849; 10.773; 17.758; 90; 91.599; 90;  

COD ID: 1553528
CIF file Formula: - C22 H32 O2 Si -
Comments: Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion Organic Chemistry Frontiers 3(12) (2016) 1691
Space group: P b c a
Cell volume: 4229.5
Cell parameters: 12.7034; 11.6077; 28.683; 90; 90; 90;  

COD ID: 1553529
CIF file Formula: - C24 H19 N O3 -
Comments: Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones Organic Chemistry Frontiers 3(12) (2016) 1614
Space group: P -1
Cell volume: 964.39
Cell parameters: 9.3034; 9.6541; 11.6687; 101.875; 106.962; 96.397;  

COD ID: 1553532
CIF file Formula: - C18 H16 O S -
Comments: An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner Organic Chemistry Frontiers 3(12) (2016) 1746
Space group: P b c a
Cell volume: 2995.5
Cell parameters: 11.1348; 10.8734; 24.741; 90; 90; 90;  

COD ID: 1553533
CIF file Formula: - C24 H21 N O -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P 1 21/c 1
Cell volume: 3557.3
Cell parameters: 9.2943; 18.714; 20.557; 90; 95.79; 90;  

COD ID: 1553534
CIF file Formula: - C24 H19 N -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P b c a
Cell volume: 3219
Cell parameters: 11.335; 7.4991; 37.869; 90; 90; 90;  

COD ID: 1553535
CIF file Formula: - C42 H34 Cl7 N3 Pd -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P -1
Cell volume: 1944.7
Cell parameters: 10.641; 10.978; 17.744; 100.04; 106.43; 93.41;  

COD ID: 1553536
CIF file Formula: - C44 H40 Cl N3 Pd -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: R -3 :H
Cell volume: 24567
Cell parameters: 36.49; 36.49; 21.305; 90; 90; 120;  

COD ID: 1553537
CIF file Formula: - C33 H25 Cl3 N2 O Pd -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P 1 21/c 1
Cell volume: 2758.5
Cell parameters: 11.611; 19.188; 13.466; 90; 113.15; 90;  

COD ID: 1553538
CIF file Formula: - C34 H27 Cl N2 O Pd -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P 1 21/n 1
Cell volume: 2574.6
Cell parameters: 14.187; 12.38; 14.674; 90; 92.59; 90;  

COD ID: 1553539
CIF file Formula: - C40 H33 N3 O0 -
Comments: Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers 3(12) (2016) 1668
Space group: P 1 21/c 1
Cell volume: 3393.6
Cell parameters: 11.91; 32.793; 9.4655; 90; 113.37; 90;  

COD ID: 1553540
CIF file Formula: - C50 H50 N2 O6 S2 -
Comments: Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent Catalytic applications of [IPr·GaX2][SbF6] and related species Organic Chemistry Frontiers 3(12) (2016) 1603
Space group: P 1 21/c 1
Cell volume: 2115.4
Cell parameters: 12.0255; 18.091; 10.1121; 90; 105.935; 90;  

COD ID: 1553541
CIF file Formula: - C18 H22 O4 -
Comments: Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent Catalytic applications of [IPr·GaX2][SbF6] and related species Organic Chemistry Frontiers 3(12) (2016) 1603
Space group: P b c a
Cell volume: 3102.5
Cell parameters: 7.6825; 17.5861; 22.9639; 90; 90; 90;  

COD ID: 1553542
CIF file Formula: - C20 H13 F S -
Comments: Wang, Xiaoming; Gensch, Tobias; Glorius, Frank Highly selective synthesis of 6-substituted benzothiophenes by Sc(OTf)3-catalyzed intermolecular cyclization and sulfur migration Organic Chemistry Frontiers 3(12) (2016) 1619
Space group: P 1 21/c 1
Cell volume: 1468.86
Cell parameters: 6.0149; 13.4117; 18.2153; 90; 91.601; 90;  

COD ID: 1553546
CIF file Formula: - C24 H28 O8 -
Comments: Cao, Tao; Ma, Shengming Nickel-catalyzed alkyl-zincation and carboxylation of diynes Organic Chemistry Frontiers 3(12) (2016) 1711
Space group: P 1 21/c 1
Cell volume: 2324.3
Cell parameters: 16.1503; 8.3426; 18.1574; 90; 108.184; 90;  

COD ID: 1553553
CIF file Formula: - C19 H17 Cl O -
Comments: Luo, Hongwen; Yu, Yihua; Ma, Shengming Suzuki coupling for preparation of allenes – ligand effects and chirality transfer Organic Chemistry Frontiers 3(12) (2016) 1705
Space group: P 1 21 1
Cell volume: 801.23
Cell parameters: 5.828; 8.2327; 16.8844; 90; 98.492; 90;  


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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.