Crystallography Open Database

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7230942 CIFC42 H36 Br Cl2 N2 O5.5 S2P -110.1352; 13.2429; 16.5954
110.962; 96.295; 91.276
2062.93Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230943 CIFC25 H23 N O3 SP 1 21/c 118.5095; 10.9007; 10.3745
90; 103.857; 90
2032.3Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230944 CIFC31 H25 N O3 SP 1 21/n 111.7246; 12.2563; 16.5665
90; 98.55; 90
2354.15Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230945 CIFC21 H18 O4C 1 2/c 117.0463; 11.4307; 18.4621
90; 107.898; 90
3423.3Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo
Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols
Green Chemistry, 2018, 20, 3476
7230946 CIFC27 H23 N O3P 1 21/c 114.9117; 9.0532; 16.0374
90; 99.025; 90
2138.2Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo
Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols
Green Chemistry, 2018, 20, 3476
7231095 CIFC29 H29 N5P -19.7181; 11.6016; 12.0845
69.98; 78.308; 71.223
1205.45Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231096 CIFC22 H25 N5P -18.154; 14.767; 16.628
90.056; 100.409; 90.188
1969.2Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231097 CIFC26 H24 Cl N5 OP 1 21 19.5211; 11.9295; 20.9205
90; 100.11; 90
2339.3Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231098 CIFC26 H25 N5C 1 c 110.7702; 13.9788; 15.802
90; 109.391; 90
2244.11Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231099 CIFC26 H25 N5P 1 21/c 113.8953; 9.4127; 16.851
90; 97.186; 90
2186.67Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231100 CIFC1.61 H1.61 N0.3P 1 21/n 111.3769; 17.6453; 11.4216
90; 96.532; 90
2277.99Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231101 CIFC33 H31 N5 O2P 21 21 219.5012; 15.8064; 18.7456
90; 90; 90
2815.2Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231208 CIFC17 H14 N2 O2 SP -18.4181; 9.1433; 10.4688
74.013; 72.64; 69.444
706.85Chen, En; Shao, Jiaan; Tang, Pai; Shu, Ke; Chen, Wenteng; Yu, Yongping
Catalyst-free three-component sequencing for efficient assembly of [1,3] oxazine N-fused imidazole-2-thiones
Green Chemistry, 2018, 20, 3696
7231242 CIFC12 H14 N2 OP -15.8293; 9.3602; 10.5304
77.907; 80.183; 78.031
544.74Pelliccia, Sveva; Abbate, Vincenzo; Meneghetti, Fiorella; Frascione, Nunzianda; Hider, Robert Charles; Novellino, Ettore; Tron, Gian Cesare; Giustiniano, Mariateresa
On-water pyrrolidine-mediated domino synthesis of 2-iminoisatins
Green Chemistry, 2018, 20, 3912
7231243 CIFC90 H78 Cl N9 O5 P6 Ru2P 1 21/n 122.8345; 15.0703; 27.8444
90; 92.926; 90
9569.4Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei
Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes
Green Chemistry, 2018, 20, 4201
7231244 CIFC48 H40 N3 O P3 RuP -112.2479; 20.634; 25.309
106.192; 93.516; 106.236
5829.8Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei
Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes
Green Chemistry, 2018, 20, 4201
7231311 CIFC16 H14.5 F3 N3 O0.25P 1 21/c 15.6803; 22.15; 23.2022
90; 90.281; 90
2919.2Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231312 CIFC18 H23 N3 O4P 1 21 15.35503; 10.169; 32.73
90; 92.72; 90
1780.31Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231313 CIFC15 H12 F3 NP n a 2127.0703; 5.7522; 8.0156
90; 90; 90
1248.14Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231314 CIFC18 H23 N3 O2P 1 21/c 112.8362; 11.1053; 11.7668
90; 92.584; 90
1675.65Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231315 CIFC23 H21 N O2P 1 21 15.66625; 18.3197; 17.6253
90; 90.314; 90
1829.55Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231316 CIFC21 H19 N3 O2P 1 21/c 112.8553; 5.5968; 24.4632
90; 92.11; 90
1758.9Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231346 CIFC18 H26 Cl9 Ir N2 O4 SP b c a11.2915; 16.6242; 32.7927
90; 90; 90
6155.6Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231347 CIFC22 H27 Ir N2 O2P -18.592; 10.2464; 12.6648
78.655; 82.445; 67.017
1004.56Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231348 CIFC18 H29 Cl2 F6 Ir N2 O8 S2P 1 21/c 111.2529; 21.6653; 12.9575
90; 111.582; 90
2937.5Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.
Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
Green Chemistry, 2018, 20, 4094
7231363 CIFC8 H19 N3 Si2P 1 21/c 16.7038; 9.1027; 21.146
90; 91.335; 90
1290Roshandel, Sahar; Suri, Suresh C.; Marcischak, Jacob C.; Rasul, Golam; Surya Prakash, G. K.
Catalyst and solvent free microwave-assisted synthesis of substituted 1,2,3-triazoles
Green Chemistry, 2018, 20, 3700
7231382 CIFC14 H7 F4 NP 1 21/c 113.274; 14.344; 6.1256
90; 101.518; 90
1142.8Charpe, Vaibhav Pramod; Hande, Aniket A.; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible-light induced copper(i)-catalysed denitrogenative oxidative coupling of hydrazinylpyridines with terminal alkynes
Green Chemistry, 2018, 20, 4859
7231389 CIFC15 H45 Cl9 N3 O4.5 Sn3C 1 c 115.459; 9.19; 23.79
90; 95.25; 90
3365.62Bayu, Asep; Yoshida, Akihiro; Karnjanakom, Surachai; Kusakabe, Katsuki; Hao, Xiaogang; Prakoso, Tirto; Abudula, Abuliti; Guan, Guoqing
Catalytic conversion of biomass derivatives to lactic acid with increased selectivity in an aqueous tin(ii) chloride/choline chloride system
Green Chemistry, 2018, 20, 4112
7231395 CIFC90 H101 N6 O12P -119.911; 20.945; 23.811
106.471; 107.031; 108.096
8223Zhu, Xin-Qi; Yuan, Han; Sun, Qing; Zhou, Bo; Han, Xiao-Qin; Zhang, Zhi-Xin; Lu, Xin; Ye, Long-Wu
Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3 + 2] annulation of isoxazoles with ynol ethers
Green Chemistry, 2018, 20, 4287
7231603 CIFC40 H45 B Cl2 F4 Ir N3 P2P -111.0544; 13.3742; 14.3388
84.204; 84.669; 72.812
2010.4Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.
A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin
Green Chemistry, 2018, 20, 4875
7231604 CIFC38 H41 B Cl2 F4 Ir N3 P2P 1 21/n 115.5008; 11.5673; 21.116
90; 97.583; 90
3753Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.
A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin
Green Chemistry, 2018, 20, 4875
7231651 CIFC20 H22 F3 N O3P -18.318; 11.515; 11.539
61.6; 78.05; 75.08
934.8He, Yu-Tao; Kang, Dahye; Kim, Inwon; Hong, Sungwoo
Metal-free photocatalytic trifluoromethylative pyridylation of unactivated alkenes
Green Chemistry, 2018, 20, 5209
7231666 CIFC13.75 H12.5 N1.25 O1.25 S0.25P 1 21/c 18.6319; 18.0068; 7.8624
90; 99.001; 90
1207.03Xing, Zhimin; Yang, Mingyang; Sun, Haiyu; Wang, Zemin; Chen, Peng; Liu, Lin; Wang, Xiaolei; Xie, Xingang; She, Xuegong
Visible-light promoted dithioacetalization of aldehydes with thiols under aerobic and photocatalyst-free conditions
Green Chemistry, 2018, 20, 5117
7231667 CIFC51 H37 F12 N5 O9 Zn2C 1 2/c 127.538; 7.887; 23.328
90; 99.24; 90
5000.9Joharian, Monika; Morsali, Ali; Azhdari Tehrani, Alireza; Carlucci, Lucia; Proserpio, Davide M.
Water-stable fluorinated metal‒organic frameworks (F-MOFs) with hydrophobic properties as efficient and highly active heterogeneous catalysts in aqueous solution
Green Chemistry, 2018, 20, 5336
7231775 CIFC12 H11 N O2 SP 1 21/c 111.1231; 11.9525; 8.5577
90; 99.993; 90
1120.48Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng
Metal-free construction of primary sulfonamides through three diverse salts
Green Chemistry, 2018, 20, 5469
7237090 CIFC19 H16 Br O3 PP 1 21/c 114.87; 8.115; 15.295
90; 106.026; 90
1773.9Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)–P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111
7237091 CIFC21 H21 O3 PA e a 232.26; 16.224; 7.12
90; 90; 90
3727Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)–P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111
7237092 CIFC20 H19 O5 PP n a 2112.451; 18.5872; 7.9138
90; 90; 90
1831.48Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)–P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111
7237093 CIFC19 H16 Br O3 PP b c a11.472; 17.116; 18.24
90; 90; 90
3582Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)–P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111
7237094 CIFC20 H19 O3 PC 1 2/c 118.086; 11.245; 17.491
90; 98.109; 90
3522Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)–P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111

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