Crystallography Open Database

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7240284 CIFC22 H20 Cl I N6 O SP -17.6849; 11.331; 14.1776
94.684; 94.245; 106.982
1170.56Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli
A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization
Green Chemistry, 2020, 22, 3111-3116
7240285 CIFC22 H16 I N7P b c a21.618; 7.8792; 23.619
90; 90; 90
4023.1Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli
A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization
Green Chemistry, 2020, 22, 3111-3116
7240286 CIFC20 H15 I N6 OP 1 21/c 18.0435; 11.5711; 27.338
90; 95.054; 90
2534.5Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli
A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization
Green Chemistry, 2020, 22, 3111-3116
7240295 CIFC12 H11 N O3P -14.1648; 10.9613; 12.044
105.854; 90.015; 94.64
527.04Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai
Environmentally benign access to isoindolinones: synthesis, separation and resource recycling
Green Chemistry, 2020, 22, 2873-2878
7240308 CIFC15 H16 Cl N3 O4P -18.802; 9.0045; 10.8415
83.765; 86.631; 72.048
812.31Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam
Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon
Green Chemistry, 2020, 22, 2388-2393
7240309 CIFC12 H12 N2 O2P 1 21/n 15.6602; 19.0351; 10.7528
90; 102.926; 90
1129.18Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam
Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon
Green Chemistry, 2020, 22, 2388-2393
7240310 CIFC13 H14 N2 O SP 21 21 216.7032; 8.5139; 22.447
90; 90; 90
1281.1Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan
Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen
Green Chemistry, 2020, 22, 2956-2962
7240311 CIFC11 H14 N2 O2P 1 21/c 18.1026; 15.7929; 8.4783
90; 104.183; 90
1051.84Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan
Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen
Green Chemistry, 2020, 22, 2956-2962
7240411 CIFC20 H14 N2P 1 21/n 16.0178; 10.934; 22.509
90; 95.035; 90
1475.3Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7240412 CIFC14 H10 O2P 32 2 18.3601; 8.3601; 13.3968
90; 90; 120
810.88Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7240413 CIFC21 H15 N OP b c a19.711; 7.4314; 20.568
90; 90; 90
3012.8Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7240414 CIFC17 H14 O4C 1 2/c 123.502; 3.9358; 15.1235
90; 105.082; 90
1350.72Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7240415 CIFC23 H22 N2 O2 SP -19.3322; 10.0321; 11.8425
95.845; 105.956; 109.513
981.56Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7240416 CIFC11 H9 F O2P 1 21/c 18.2958; 7.8128; 14.5059
90; 98.757; 90
929.22Zhang, Zhipeng; Yu, Yang; Xie, Yuxing; Hughes, Timothy; Xu, Jun; Huang, Fei; Huang, He
Catalytic C‒C coupling of diazo compounds with arylboronic acids: using surface modified sewage sludge as catalyst
Green Chemistry, 2020, 22, 4165-4173
7240443 CIFC11 H11 N O4 SP n a 2138.544; 5.1102; 11.6487
90; 90; 90
2294.4Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander
Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity
Green Chemistry, 2020, 22, 2459-2467
7240444 CIFC11 H11 N O5P c a 2120.486; 3.9298; 13.6374
90; 90; 90
1097.89Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander
Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity
Green Chemistry, 2020, 22, 2459-2467
7240445 CIFC19 H23 N3 O3P 1 21/c 111.864; 11.162; 13.889
90; 99.31; 90
1815Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander
Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity
Green Chemistry, 2020, 22, 2459-2467
7240446 CIFC11 H9 N O4C 1 2/c 120.522; 3.8101; 26.193
90; 102.39; 90
2000.4Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander
Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity
Green Chemistry, 2020, 22, 2459-2467
7240449 CIFC35 H35 N O5P -19.3207; 10.8786; 14.8658
95.037; 96.282; 100.049
1466.5Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang
An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides
Green Chemistry, 2020, 22, 3827-3834
7240489 CIFC4 N O10 ScP 62 2 29.0093; 9.0093; 11.2503
90; 90; 120
790.82Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240490 CIFC6 H10 Na3 O18 ScI 1 2/a 117.851; 11.0413; 18.2806
90; 104.189; 90
3493.2Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240491 CIFC7 H12 K3.5 O20 ScC 1 2/c 115.8839; 11.4558; 22.7314
90; 92.19; 90
4133.2Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240492 CIFC4 N O9 YbP 1 2/n 19.0427; 6.09117; 7.8999
90; 90.182; 90
435.129Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240493 CIFC6 Eu K3 O15P -18.4883; 9.3894; 9.7552
98.255; 91.154; 96.544
763.89Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240494 CIFC6 H6 Gd K3 O15P -18.4795; 9.3708; 9.7323
98.377; 91.097; 96.629
759.45Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240495 CIFC3 Lu O9P -19.5867; 6.64358; 6.25859
98.1966; 99.4509; 75.113
377.889Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240496 CIFC6 H8 K3 O16 ScC 1 2/c 111.4151; 12.6781; 11.4093
90; 111.9; 90
1532.02Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav
Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Green Chemistry, 2020, 22, 4364-4375
7240578 CIFC96 H80 O28 P4 V10P 1 21/n 112.2892; 20.1324; 18.9867
90; 102.411; 90
4587.7Li, Chifeng; Mizuno, Noritaka; Murata, Kei; Ishii, Kazuyuki; Suenobu, Tomoyoshi; Yamaguchi, Kazuya; Suzuki, Kosuke
Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate
Green Chemistry, 2020, 22, 3896-3905
7240659 CIFC20 H34 O6P 1 21/n 17.8705; 10.1489; 23.9418
90; 93.881; 90
1908Bonjour, Olivier; Liblikas, Ilme; Pehk, Tõnis; Khai-Nghi, Truong; Rissanen, Kari; Vares, Lauri; Jannasch, Patric
Rigid biobased polycarbonates with good processability based on a spirocyclic diol derived from citric acid
Green Chemistry, 2020, 22, 3940-3951
7240671 CIFC22 H19 N O3 SP 1 21/n 19.15686; 13.9511; 14.2096
90; 101.125; 90
1781.14Wang, Ze-Shu; Chen, Yang-Bo; Wang, Kun; Xu, Zhou; Ye, Long-Wu
One-pot synthesis of 2-hydroxymethylindoles via photoredox-catalyzed ketyl‒ynamide coupling/1,3-allylic alcohol transposition
Green Chemistry, 2020, 22, 4483-4488
7240672 CIFC69 H56 Cu F6 N2 O3 P3C 1 c 125.4166; 16.5833; 14.6422
90; 105.981; 90
5933Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer
Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media
Green Chemistry, 2020, 22, 4541-4549
7240682 CIFC33 H33 Cl N2 O4P 1 21/c 110.3143; 13.9869; 20.0442
90; 99.155; 90
2854.8Lei, Jie; Li, Yong; Xu, Jia; Tang, Dian-Yong; Shao, Jing-Wei; Li, Hong-yu; Chen, Zhong-Zhu; Xu, Zhi-Gang
An acid-catalyzed 1,4-addition isocyanide-based multicomponent reaction in neat water
Green Chemistry, 2020, 22, 3716-3720
7240708 CIFC27 H26 I O3.5 SP -19.783; 12.3051; 12.3219
62.429; 66.999; 79.648
1210.3Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Rong; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo
Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes
Green Chemistry, 2020, 22, 4259-4269
7240736 CIFC16 H14 O3P 1 21/c 113.6722; 21.2561; 8.9159
90; 95.877; 90
2577.5Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok
Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation
Green Chemistry, 2020, 22, 4523-4531
7240737 CIFC19 H14 O3P 1 21/c 17.3618; 7.4104; 25.4612
90; 95.2808; 90
1383.11Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok
Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation
Green Chemistry, 2020, 22, 4523-4531
7240755 CIFC18 H20 N2 O2P 1 21/c 111.8025; 6.6554; 19.9584
90; 90.687; 90
1567.63Liu, Yi; Meng, Ya-Nan; Huang, Xun-Jie; Qin, Fu-Hua; Wu, Dapeng; Shao, Qianjun; Guo, Zhiyong; Li, Qiang; Wei, Wen-Ting
Radical cyclization of 1,6-dienes with azobis(alkylcarbonitriles) on water under additive-free conditions
Green Chemistry, 2020, 22, 4593-4596
7240759 CIFC40 H84 Si5I 41/a :216.882; 16.882; 16.323
90; 90; 90
4652.1Herz, Fabian A. D.; Nobis, Matthias; Wendel, Daniel; Pahl, Philipp; Altmann, Philipp J.; Tillmann, Jan; Weidner, Richard; Inoue, Shigeyoshi; Rieger, Bernhard
Application of multifunctional silylenes and siliranes as universal crosslinkers for metal-free curing of silicones
Green Chemistry, 2020, 22, 4489-4497
7240768 CIFC17 H15 F3 N3 O S2P -17.145; 10.3161; 12.2769
101.41; 103.927; 93.498
855.32Li, Xiao-Yun; Liu, Yan; Chen, Xiao-Lan; Lu, Xin-Yuan; Liang, Xing-Xing; Zhu, Shan-Shan; Wei, Chuan-Wan; Qu, Ling-Bo; Yu, Bing
6π-Electrocyclization in water: microwave-assisted synthesis of polyheterocyclic-fused quinoline-2-thiones
Green Chemistry, 2020, 22, 4445-4449
7240806 CIFC6 H3 Co N18P 1 21/c 18.616; 8.888; 17.715
90; 96.499; 90
1347.9Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.
Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions
Green Chemistry, 2020, 22, 5050-5058
7240807 CIFC22 H35 Cl2 N4 O2.5P 43 21 211.2054; 11.2054; 83.0175
90; 90; 90
10423.8Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.
Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion
Green Chemistry, 2020, 22, 4697-4705
7240814 CIFC7 H5 F2 N OP 1 21/c 14.352; 10.59; 14.532
90; 98.269; 90
662.8Jiang, Xiaolin; Huang, Zijun; Makha, Mohamed; Du, Chen-Xia; Zhao, Dongmei; Wang, Fang; Li, Yuehui
Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide
Green Chemistry, 2020, 22, 5317-5324
7240863 CIFC13 H9 F6 N O2 SeP 1 21/n 110.4389; 21.5791; 14.669
90; 109.581; 90
3113.27Lei, Yingjie; Yang, Ju; Wang, Yawen; Wang, Hongying; Zhan, Yue; Jiang, Xianxing; Xu, Zhaoqing
Metal-free fluoroalkylfluoroalkylselenolation of unactivated alkenes: incorporation of two photoinduced processes
Green Chemistry, 2020, 22, 4878-4883
7240906 CIFC71 H76 O15 Ti4P 1 21/n 118.731; 16.579; 21.872
90; 100.786; 90
6672Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian
Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction
Green Chemistry, 2020, 22, 5325-5332
7240907 CIFC68 H76 O24 Ti7C m c 2124.63; 19.1; 14.9
90; 90; 90
7009Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian
Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction
Green Chemistry, 2020, 22, 5325-5332
7240916 CIFC24 H21 N O2P 1 21/c 19.1551; 11.365; 18.1448
90; 94.124; 90
1883.04Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Green Chemistry, 2020, 22, 5497-5503
7240917 CIFC24 H18 F3 N O2P 1 21/n 114.3957; 9.8622; 14.7627
90; 100.8; 90
2058.78Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Green Chemistry, 2020, 22, 5497-5503
7240918 CIFC24 H19 N O2P 1 21/c 110.6923; 11.1552; 15.2475
90; 97.358; 90
1803.67Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Green Chemistry, 2020, 22, 5497-5503
7240919 CIFC22 H25 N O2P 1 21/n 112.9186; 11.6675; 13.3986
90; 109.007; 90
1909.4Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Green Chemistry, 2020, 22, 5497-5503
7240920 CIFC21 H15 N OP 1 21/c 114.5135; 11.7884; 18.8103
90; 108.09; 90
3059.2Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng
Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis
Green Chemistry, 2020, 22, 5497-5503
7240963 CIFC15 H13 F3 N2 O2 SP 1 21/c 112.0991; 12.9247; 10.4969
90; 100.474; 90
1614.13Nadiveedhi, Maheshwara Reddy; Cirandur, Suresh Reddy; Akondi, Srirama Murthy
Visible-light-promoted photocatalyst- and additive-free intermolecular trifluoromethyl-thio(seleno)cyanation of alkenes
Green Chemistry, 2020, 22, 5589-5593

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