Crystallography Open Database

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7241040 CIFC34 H24 O2P 1 21/n 16.0757; 16.4664; 11.9301
90; 98.44; 90
1180.62Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241041 CIFC34 H24 O2P -110.3715; 10.426; 12.2917
92.1911; 108.336; 108.655
1181.03Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241042 CIFC41 H32 O2C 1 2/c 131.5547; 6.137; 17.2488
90; 119.126; 90
2917.9Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241043 CIFC34 H24 O2P 1 21 16.0678; 16.401; 11.9151
90; 98.556; 90
1172.6Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241044 CIFC40 H29 Cl O2C 1 2/c 131.3116; 6.1363; 17.3304
90; 118.835; 90
2917Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241086 CIFC13 H13 N OP -15.923; 8.454; 10.773
78.722; 76.248; 86.236
513.8Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang
Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles
Green Chemistry, 2020, 22, 5815-5821
7241087 CIFC44 H36 Ir2 N8 Na2 O23 S4P -110.3801; 12.7791; 22.1745
92.814; 92.689; 104.376
2840.6Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina
Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts
Green Chemistry, 2020, 22, 6093-6104
7241108 CIFC24 H28 Cl4 N4 O4P 1 21/c 19.8228; 15.994; 18.5143
90; 104.008; 90
2822.2Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric
Counterintuitive torsional barriers controlled by hydrogen bonding.
Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611
7241109 CIFC24 H26 O6P -19.6496; 12.0424; 19.8345
81.278; 82.463; 70.074
2134Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric
Counterintuitive torsional barriers controlled by hydrogen bonding.
Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611
7241129 CIFC21 H18 N2 O SP 1 21/n 111.37; 10.2878; 14.5801
90; 97.519; 90
1690.8Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming
Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade
Green Chemistry, 2020, 22, 6334-6339
7241130 CIFC22.75 H22 N3 O1.75 SP -14.9241; 14.209; 15.299
90.853; 96.934; 99.1
1048.6Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming
Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade
Green Chemistry, 2020, 22, 6334-6339
7241131 CIFC25 H20 N2 SP 21 21 215.6915; 12.7636; 26.8264
90; 90; 90
1948.78Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming
Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade
Green Chemistry, 2020, 22, 6334-6339
7241146 CIFC54 H52 F4 N4 O12P 18.5574; 9.8938; 14.8351
91.403; 93.658; 97.92
1240.8Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming
Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials
Green Chemistry, 2020, 22, 6047-6054
7241147 CIFC24 H36 Cl F2 N O4P 21 21 218.3081; 11.7497; 26.4644
90; 90; 90
2583.39Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming
Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials
Green Chemistry, 2020, 22, 6047-6054
7241148 CIFC19 H21 B O3P 1 21/n 16.3536; 11.4414; 23.5584
90; 92.688; 90
1710.67Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241149 CIFC19 H21 B O3P 1 21/n 16.27903; 10.62604; 25.7596
90; 91.8497; 90
1717.82Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241150 CIFC19 H21 B O3P 1 21/c 112.4558; 12.11252; 12.7411
90; 113.325; 90
1765.16Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241151 CIFC19 H21 B O3P 1 21/c 18.73519; 9.35255; 21.1327
90; 101.428; 90
1692.23Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241185 CIFC19 H15 Cl F N O8P 1 21/n 18.1097; 14.367; 16.622
90; 98.194; 90
1916.9Chen, Li; Huang, Rong; Li, Kun; Yun, Xing-Han; Yang, Chang-Long; Yan, Sheng-Jiao
An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water
Green Chemistry, 2020, 22, 6943-6953
7241224 CIFC21 H17 N O2P 21 21 219.61101; 10.7261; 15.5952
90; 90; 90
1607.69Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli
A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds
Green Chemistry, 2020, 22, 7506-7512
7241225 CIFC23 H19 N O2P 21 21 218.4921; 13.5753; 15.0981
90; 90; 90
1740.55Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli
A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds
Green Chemistry, 2020, 22, 7506-7512
7241226 CIFC44 H48 O20P 1 21 18.352; 5.7066; 22.623
90; 91.45; 90
1077.9Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua
Electrochemical esterification reaction of alkynes with diols via cleavage of carbon‒carbon triple bonds without catalyst and oxidant
Green Chemistry, 2020, 22, 6783-6791
7241227 CIFC22 H21 N O4 SP 1 21/n 18.7517; 11.7055; 19.7505
90; 101.925; 90
1979.64Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241228 CIFC23 H25 Cl2 N O5 SP 1 21/c 113.9122; 12.1203; 14.5292
90; 103.724; 90
2380Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241229 CIFC24 H25 Cl2 N O4 SP -110.7314; 10.99; 12.275
71.712; 69.196; 68.46
1230.5Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241230 CIFC22 H21 N O6 SP b c a9.5153; 17.8775; 24.2427
90; 90; 90
4123.9Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241231 CIFC16 H19 N O2 SP 1 21/c 112.239; 19.008; 20.975
90; 100.52; 90
4798Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241232 CIFC22 H19 N O3 SP 1 21/c 112.0121; 9.9422; 15.9636
90; 99.105; 90
1882.5Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241233 CIFC21 H19 N O4 SC 1 2/c 111.9374; 18.7941; 16.6525
90; 95.525; 90
3718.68Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241234 CIFC19 H23 N O4 SP -19.0842; 11.168; 11.3556
108.185; 106.055; 109.685
932Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241235 CIFC20 H23 N O4 SP -19.489; 10.341; 12.078
75.859; 82.328; 69.425
1074.5Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241236 CIFC19 H17 N O2 SP 21 21 214.9632; 9.9037; 33.603
90; 90; 90
1651.72Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Green Chemistry, 2020, 22, 6798-6803
7241237 CIFC11 H13 N5 O5 S2C 1 2/c 128.8618; 7.5904; 14.3121
90; 104.306; 90
3038.2Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L.
Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods.
Physical chemistry chemical physics : PCCP, 2020, 22, 20867-20879
7241295 CIFC18 H16 O6P -19.1121; 9.4374; 10.647
95.85; 104.17; 111.98
803.9Hu, Deqing; Yang, Lu; Wan, Jie-Ping
Biaryl and atropisomeric biaryl aldehyde synthesis by one-step, metal-free benzannulation of aryl enals and propiolates
Green Chemistry, 2020, 22, 6773-6777
7241296 CIFC20 H11 F3 N3 OP 1 21/n 17.5809; 19.0996; 11.1263
90; 104.022; 90
1563Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna
UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics.
Physical chemistry chemical physics : PCCP, 2020, 22, 23637-23644
7241315 CIFC24 H20 Cu2 N8 O6 V2P -111.6196; 12.0604; 12.2162
63.651; 75.955; 61.239
1343.91Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia
A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature
Green Chemistry, 2020, 22, 7513-7520
7241334 CIFC13 H11 B F4 N2 OP n a 2110.3539; 10.9951; 11.059
90; 90; 90
1258.98Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng
The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives
Green Chemistry, 2020, 22, 7955-7961
7241345 CIFC20 H44 Li2 N2 O4P -18.1303; 8.5936; 9.2306
88.833; 68.333; 89.254
599.23Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng
Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides
Green Chemistry, 2020, 22, 7023-7030
7241346 CIFC17 H21 N O2P 1 21/n 113.1208; 7.6644; 15.2725
90; 111.229; 90
1431.63Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng
Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides
Green Chemistry, 2020, 22, 7023-7030
7241361 CIFC42 H20 B F24 S8P 1 21/c 110.1692; 22.6293; 20.9402
90; 91.6312; 90
4816.8Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241362 CIFC7 H10 B11 Br6 S4P 1 21/m 18.1423; 13.7726; 10.2776
90; 92.209; 90
1151.68Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241363 CIFC85 H50 B2 Cl2 F48 Se8P -113.8745; 14.2009; 26.1484
93.003; 99.251; 106.843
4840.1Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241364 CIFC42 H24 B F24 Se4P -110.4486; 14.0122; 15.7753
89.036; 83.401; 81.206
2267.35Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241365 CIFC23 H44 B11 S8P -114.9617; 15.7799; 17.0816
111.658; 101.268; 94.4328
3626.2Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241366 CIFC12 H16 B11 Br6 Cl2 S8P 1 21/c 111.0183; 11.7862; 26.111
90; 92.046; 90
3388.7Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241367 CIFC11 H18 B11 Br6 Se4P 1 21/c 18.8819; 21.3136; 15.0603
90; 92.345; 90
2848.6Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241368 CIFC70 H146 B33 Cl2 Se12P 1 21/c 19.1263; 74.893; 15.658
90; 104.505; 90
10361Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241369 CIFC11 H18 B11 Br6 S4P 1 21/c 19.0536; 20.5662; 15.0317
90; 96.2939; 90
2782Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241370 CIFC23 H48 B11 S4P -19.0883; 9.2043; 10.2496
83.788; 76.145; 85.976
826.7Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241380 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.6059; 10.3846; 17.1139
90; 96.948; 90
1871.05Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241381 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.6198; 10.3883; 17.0912
90; 97.256; 90
1870.4Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241382 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.892; 10.536; 17.354
90; 98.397; 90
1970.2Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241383 CIFC21 H16 Cl N3 SP -18.4738; 9.6099; 12.106
88.37; 69.823; 84.352
920.81Wang, Guanjie; Wei, Chenlong; Hong, Xianfang; Fu, Zhenqian; Huang, Wei
Sodium pyruvate as a peroxide scavenger in aerobic oxidation under carbene catalysis
Green Chemistry, 2020, 22, 6819-6826
7241409 CIFC16 H20 N2 O2P n m a12.863; 7.173; 16.464
90; 90; 90
1519.1Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Green Chemistry, 2020, 22, 7832-7838
7241410 CIFC22 H28 N2 O2P 42 b c20.029; 20.029; 9.929
90; 90; 90
3983.1Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Green Chemistry, 2020, 22, 7832-7838
7241411 CIFC27 H47 N7 S2P 21 21 2111.9503; 12.9375; 19.6351
90; 90; 90
3035.7Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Green Chemistry, 2020, 22, 7832-7838
7241412 CIFC28 H49 N7 O2P 1 21/c 112.003; 19.823; 16.309
90; 111.59; 90
3608Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Green Chemistry, 2020, 22, 7832-7838
7241413 CIFC62 H115 N14 O9P -112.8442; 17.5019; 18.6407
63.996; 70.836; 69.475
3450.4Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing
Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines
Green Chemistry, 2020, 22, 7832-7838
7241510 CIFC13 H15 F N2 O8P -16.9299; 6.9584; 15.946
99.753; 96.384; 98.812
741.41Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong
The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal
CrystEngComm, 2020, 22, 7992-8006
7241569 CIFC14 H24 N4 O8P -19.6037; 9.8432; 10.2613
68.903; 83.98; 68.045
838.87Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241570 CIFC14 H12 N2 O8P -13.6795; 9.855; 10.425
116.097; 97.436; 97.188
329.52Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241571 CIFC14 H24 N4 O8P -19.6812; 9.8923; 10.3777
70.346; 83.328; 67.442
864.26Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241572 CIFC14 H12 N2 O8P -13.7614; 9.8932; 10.4498
116.121; 96.721; 98.409
338.11Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241573 CIFC10 H18 N4 O4P 1 21/c 16.017; 18.34; 11.778
90; 99.387; 90
1282.3Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241574 CIFC16 H30 N8 O4C 1 2/c 121.847; 6.9981; 26.359
90; 102.17; 90
3939.4Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241575 CIFC10 H18 N4 O4P 1 21/c 15.8215; 18.363; 11.592
90; 100.266; 90
1219.3Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241576 CIFC12 H10 N2 O4P -18.74; 9.849; 13.663
73.285; 72.292; 72.343
1042.6Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241577 CIFC24 H20 N4 O8P -18.7731; 9.8652; 13.9929
73.741; 72.89; 72.483
1079.17Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241578 CIFC16 H30 N8 O4C 1 2/c 121.654; 6.948; 25.748
90; 101.148; 90
3800.7Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.
Crystallisation of organic salts by sublimation: salt formation from the gas phase
CrystEngComm, 2020, 22, 7826-7831
7241586 CIFC9 H8 O4P 1 21/n 16.6967; 5.7405; 20.7844
90; 94.953; 90
796.02Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241587 CIFC10 H10 O4P 1 21/n 17.2043; 11.578; 11.3815
90; 105.771; 90
913.61Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241588 CIFC26 H32 O12P -15.3882; 8.4135; 14.8002
77.6; 80.086; 88.273
645.49Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241589 CIFC20 H20 O8P 1 21/c 18.841; 10.807; 9.978
90; 112.64; 90
879.9Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan
Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials
CrystEngComm, 2020, 22, 7847-7857
7241600 CIFC28 H24 N4 O7 ZnP 1 21/n 110.792; 18.8461; 13.1548
90; 97.925; 90
2649.96Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241601 CIFC28 H22 N4 O6 ZnC 1 2/c 129.2681; 10.0831; 22.0305
90; 129.908; 90
4987.1Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241602 CIFC18 H15 Cd N2 O6P -17.482; 8.3416; 14.5588
78.944; 87.671; 76.222
866.11Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241603 CIFC28 H24 N4 O7 ZnP -19.6024; 11.8975; 13.2665
113.334; 103.141; 102.592
1272.3Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan
Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions
CrystEngComm, 2020, 22, 7952-7961
7241648 CIFC45 H24 Cl N2 O3 ReP n m a7.2328; 19.384; 25.55
90; 90; 90
3582.1Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian
A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction
Green Chemistry, 2020, 22, 8614-8622
7241650 CIFC14 H17 F6 O P RuP 21 21 219.5873; 12.2766; 12.9471
90; 90; 90
1523.87Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241651 CIFC15 H29 B11 O RuP 1 21/c 19.59; 22.809; 9.636
90; 94.756; 90
2100.5Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241652 CIFC15 H29 B11 O RuP -18.7042; 10.1448; 12.0722
99.046; 95.893; 96.477
1038.1Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241699 CIFC13 H11 Na O6 SP 1 21/c 116.2484; 11.3597; 8.2456
90; 100.148; 90
1498.14Zhang, Hui; Wang, Ming; Jiang, Xuefeng
Sustainable access to sulfonic acids from halides and thiourea dioxide with air
Green Chemistry, 2020, 22, 8238-8242
7241700 CIFC32 H30 Cl2 N2 O5C 1 2/c 116.8614; 19.0598; 8.8881
90; 103.357; 90
2779.1Zhang, Ming-Zhong; Liu, Long; Gou, Quan; Wang, Qi; Li, Yi; Li, Wan-Ting; Luo, Fei; Yuan, Min; Chen, Tieqiao; He, Wei-Min
Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes
Green Chemistry, 2020, 22, 8369-8374
7241704 CIFC12 H17 N O2 SP 21 21 216.27149; 13.8374; 14.1502
90; 90; 90
1227.97Scholten, Kevin; Engelage, Elric; Merten, Christian
Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.
Physical chemistry chemical physics : PCCP, 2020, 22, 27979-27986
7241705 CIFC26 H26 Cl2 Fe N10 O2P 1 21/n 18.7562; 13.1732; 12.6457
90; 95.04; 90
1453.01Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241706 CIFC16 H16 Fe I2 N8 O2C 1 2/c 114.9231; 8.4115; 18.7857
90; 108.571; 90
2235.3Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241707 CIFC18 H20 Fe I2 N8 O2P 1 21/c 18.8231; 11.0729; 13.2703
90; 106.027; 90
1246.08Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241708 CIFC16 H12 Fe I2 N8P 1 21/c 18.3887; 9.639; 13.2734
90; 99.11; 90
1059.73Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241709 CIFC34 H32 Cl4 Fe2 N16 O2P -18.1771; 11.2544; 12.1692
91.426; 108.865; 90.318
1059.3Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241710 CIFC16 H16 Br2 Fe N8 O2C 1 2/c 114.7058; 8.3867; 18.3571
90; 108.439; 90
2147.8Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241711 CIFC58 H44 Br8 Fe3 N26C 1 2/c 119.931; 12.6943; 30.341
90; 93.819; 90
7659.5Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir
The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines
CrystEngComm, 2020, 22, 8142-8150
7241736 CIFC36 H38 N10P 1 21/c 17.8699; 36.0925; 11.3684
90; 92.524; 90
3226Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241737 CIFC22 H19 N5P 1 21 17.5794; 5.6975; 21.4258
90; 97.914; 90
916.43Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241738 CIFC24 H23 N5P 1 21 17.73; 5.6677; 23.0411
90; 91.233; 90
1009.23Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241739 CIFC21 H23 N5P 1 21 17.9177; 5.9154; 19.843
90; 90.84; 90
929.3Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241740 CIFC29 H24 N4P 1 21/n 125.715; 5.9027; 31.344
90; 107.76; 90
4530.9Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
CrystEngComm, 2020, 22, 8045-8053
7241742 CIFC46 H37 Cd Cl I4 S32I 41/a :29.7369; 9.7369; 76.074
90; 90; 90
7212.4Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241743 CIFC46 H37 Cd Cl I4 S32I 1 2/a 19.6448; 76.132; 9.7076
90; 90.2; 90
7128Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241744 CIFC46 H37 Cd Cl I4 S32I -19.5531; 9.7052; 76.0688
89.884; 89.917; 89.798
7052.6Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.
Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling
CrystEngComm, 2020, 22, 8054-8062
7241745 CIFC8 H12 Cd N2 O2 S4P n m a13.1254; 13.6595; 8.5225
90; 90; 90
1527.97Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
CrystEngComm, 2020, 22, 8023-8035

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