Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7241040 | CIF | C34 H24 O2 | P 1 21/n 1 | 6.0757; 16.4664; 11.9301 90; 98.44; 90 | 1180.62 | Courté, 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 | CIF | C34 H24 O2 | P -1 | 10.3715; 10.426; 12.2917 92.1911; 108.336; 108.655 | 1181.03 | Courté, 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 | CIF | C41 H32 O2 | C 1 2/c 1 | 31.5547; 6.137; 17.2488 90; 119.126; 90 | 2917.9 | Courté, 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 | CIF | C34 H24 O2 | P 1 21 1 | 6.0678; 16.401; 11.9151 90; 98.556; 90 | 1172.6 | Courté, 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 | CIF | C40 H29 Cl O2 | C 1 2/c 1 | 31.3116; 6.1363; 17.3304 90; 118.835; 90 | 2917 | Courté, 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 | CIF | C13 H13 N O | P -1 | 5.923; 8.454; 10.773 78.722; 76.248; 86.236 | 513.8 | Bi, 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 | CIF | C44 H36 Ir2 N8 Na2 O23 S4 | P -1 | 10.3801; 12.7791; 22.1745 92.814; 92.689; 104.376 | 2840.6 | Ainembabazi, 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 | CIF | C24 H28 Cl4 N4 O4 | P 1 21/c 1 | 9.8228; 15.994; 18.5143 90; 104.008; 90 | 2822.2 | Barbero, 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 | CIF | C24 H26 O6 | P -1 | 9.6496; 12.0424; 19.8345 81.278; 82.463; 70.074 | 2134 | Barbero, 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 | CIF | C21 H18 N2 O S | P 1 21/n 1 | 11.37; 10.2878; 14.5801 90; 97.519; 90 | 1690.8 | Zhong, 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 | CIF | C22.75 H22 N3 O1.75 S | P -1 | 4.9241; 14.209; 15.299 90.853; 96.934; 99.1 | 1048.6 | Zhong, 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 | CIF | C25 H20 N2 S | P 21 21 21 | 5.6915; 12.7636; 26.8264 90; 90; 90 | 1948.78 | Zhong, 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 | CIF | C54 H52 F4 N4 O12 | P 1 | 8.5574; 9.8938; 14.8351 91.403; 93.658; 97.92 | 1240.8 | Babij, 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 | CIF | C24 H36 Cl F2 N O4 | P 21 21 21 | 8.3081; 11.7497; 26.4644 90; 90; 90 | 2583.39 | Babij, 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 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.3536; 11.4414; 23.5584 90; 92.688; 90 | 1710.67 | Che, 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 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.27903; 10.62604; 25.7596 90; 91.8497; 90 | 1717.82 | Che, 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 | CIF | C19 H21 B O3 | P 1 21/c 1 | 12.4558; 12.11252; 12.7411 90; 113.325; 90 | 1765.16 | Che, 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 | CIF | C19 H21 B O3 | P 1 21/c 1 | 8.73519; 9.35255; 21.1327 90; 101.428; 90 | 1692.23 | Che, 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 | CIF | C19 H15 Cl F N O8 | P 1 21/n 1 | 8.1097; 14.367; 16.622 90; 98.194; 90 | 1916.9 | Chen, 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 | CIF | C21 H17 N O2 | P 21 21 21 | 9.61101; 10.7261; 15.5952 90; 90; 90 | 1607.69 | Zhu, 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 | CIF | C23 H19 N O2 | P 21 21 21 | 8.4921; 13.5753; 15.0981 90; 90; 90 | 1740.55 | Zhu, 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 | CIF | C44 H48 O20 | P 1 21 1 | 8.352; 5.7066; 22.623 90; 91.45; 90 | 1077.9 | Wang, 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 | CIF | C22 H21 N O4 S | P 1 21/n 1 | 8.7517; 11.7055; 19.7505 90; 101.925; 90 | 1979.64 | Shen, 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 | CIF | C23 H25 Cl2 N O5 S | P 1 21/c 1 | 13.9122; 12.1203; 14.5292 90; 103.724; 90 | 2380 | Shen, 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 | CIF | C24 H25 Cl2 N O4 S | P -1 | 10.7314; 10.99; 12.275 71.712; 69.196; 68.46 | 1230.5 | Shen, 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 | CIF | C22 H21 N O6 S | P b c a | 9.5153; 17.8775; 24.2427 90; 90; 90 | 4123.9 | Shen, 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 | CIF | C16 H19 N O2 S | P 1 21/c 1 | 12.239; 19.008; 20.975 90; 100.52; 90 | 4798 | Shen, 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 | CIF | C22 H19 N O3 S | P 1 21/c 1 | 12.0121; 9.9422; 15.9636 90; 99.105; 90 | 1882.5 | Shen, 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 | CIF | C21 H19 N O4 S | C 1 2/c 1 | 11.9374; 18.7941; 16.6525 90; 95.525; 90 | 3718.68 | Shen, 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 | CIF | C19 H23 N O4 S | P -1 | 9.0842; 11.168; 11.3556 108.185; 106.055; 109.685 | 932 | Shen, 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 | CIF | C20 H23 N O4 S | P -1 | 9.489; 10.341; 12.078 75.859; 82.328; 69.425 | 1074.5 | Shen, 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 | CIF | C19 H17 N O2 S | P 21 21 21 | 4.9632; 9.9037; 33.603 90; 90; 90 | 1651.72 | Shen, 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 | CIF | C11 H13 N5 O5 S2 | C 1 2/c 1 | 28.8618; 7.5904; 14.3121 90; 104.306; 90 | 3038.2 | Manin, 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 | CIF | C18 H16 O6 | P -1 | 9.1121; 9.4374; 10.647 95.85; 104.17; 111.98 | 803.9 | Hu, 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 | CIF | C20 H11 F3 N3 O | P 1 21/n 1 | 7.5809; 19.0996; 11.1263 90; 104.022; 90 | 1563 | Hande, 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 | CIF | C24 H20 Cu2 N8 O6 V2 | P -1 | 11.6196; 12.0604; 12.2162 63.651; 75.955; 61.239 | 1343.91 | Tian, 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 | CIF | C13 H11 B F4 N2 O | P n a 21 | 10.3539; 10.9951; 11.059 90; 90; 90 | 1258.98 | Gao, 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 | CIF | C20 H44 Li2 N2 O4 | P -1 | 8.1303; 8.5936; 9.2306 88.833; 68.333; 89.254 | 599.23 | Yang, 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 | CIF | C17 H21 N O2 | P 1 21/n 1 | 13.1208; 7.6644; 15.2725 90; 111.229; 90 | 1431.63 | Yang, 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 | CIF | C42 H20 B F24 S8 | P 1 21/c 1 | 10.1692; 22.6293; 20.9402 90; 91.6312; 90 | 4816.8 | Brown, 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 | CIF | C7 H10 B11 Br6 S4 | P 1 21/m 1 | 8.1423; 13.7726; 10.2776 90; 92.209; 90 | 1151.68 | Brown, 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 | CIF | C85 H50 B2 Cl2 F48 Se8 | P -1 | 13.8745; 14.2009; 26.1484 93.003; 99.251; 106.843 | 4840.1 | Brown, 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 | CIF | C42 H24 B F24 Se4 | P -1 | 10.4486; 14.0122; 15.7753 89.036; 83.401; 81.206 | 2267.35 | Brown, 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 | CIF | C23 H44 B11 S8 | P -1 | 14.9617; 15.7799; 17.0816 111.658; 101.268; 94.4328 | 3626.2 | Brown, 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 | CIF | C12 H16 B11 Br6 Cl2 S8 | P 1 21/c 1 | 11.0183; 11.7862; 26.111 90; 92.046; 90 | 3388.7 | Brown, 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 | CIF | C11 H18 B11 Br6 Se4 | P 1 21/c 1 | 8.8819; 21.3136; 15.0603 90; 92.345; 90 | 2848.6 | Brown, 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 | CIF | C70 H146 B33 Cl2 Se12 | P 1 21/c 1 | 9.1263; 74.893; 15.658 90; 104.505; 90 | 10361 | Brown, 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 | CIF | C11 H18 B11 Br6 S4 | P 1 21/c 1 | 9.0536; 20.5662; 15.0317 90; 96.2939; 90 | 2782 | Brown, 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 | CIF | C23 H48 B11 S4 | P -1 | 9.0883; 9.2043; 10.2496 83.788; 76.145; 85.976 | 826.7 | Brown, 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 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6059; 10.3846; 17.1139 90; 96.948; 90 | 1871.05 | Kolesov, 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 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6198; 10.3883; 17.0912 90; 97.256; 90 | 1870.4 | Kolesov, 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 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.892; 10.536; 17.354 90; 98.397; 90 | 1970.2 | Kolesov, 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 | CIF | C21 H16 Cl N3 S | P -1 | 8.4738; 9.6099; 12.106 88.37; 69.823; 84.352 | 920.81 | Wang, 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 | CIF | C16 H20 N2 O2 | P n m a | 12.863; 7.173; 16.464 90; 90; 90 | 1519.1 | Zhou, 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 | CIF | C22 H28 N2 O2 | P 42 b c | 20.029; 20.029; 9.929 90; 90; 90 | 3983.1 | Zhou, 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 | CIF | C27 H47 N7 S2 | P 21 21 21 | 11.9503; 12.9375; 19.6351 90; 90; 90 | 3035.7 | Zhou, 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 | CIF | C28 H49 N7 O2 | P 1 21/c 1 | 12.003; 19.823; 16.309 90; 111.59; 90 | 3608 | Zhou, 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 | CIF | C62 H115 N14 O9 | P -1 | 12.8442; 17.5019; 18.6407 63.996; 70.836; 69.475 | 3450.4 | Zhou, 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 | CIF | C13 H15 F N2 O8 | P -1 | 6.9299; 6.9584; 15.946 99.753; 96.384; 98.812 | 741.41 | Yu, 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 | CIF | C14 H24 N4 O8 | P -1 | 9.6037; 9.8432; 10.2613 68.903; 83.98; 68.045 | 838.87 | Lombard, 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 | CIF | C14 H12 N2 O8 | P -1 | 3.6795; 9.855; 10.425 116.097; 97.436; 97.188 | 329.52 | Lombard, 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 | CIF | C14 H24 N4 O8 | P -1 | 9.6812; 9.8923; 10.3777 70.346; 83.328; 67.442 | 864.26 | Lombard, 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 | CIF | C14 H12 N2 O8 | P -1 | 3.7614; 9.8932; 10.4498 116.121; 96.721; 98.409 | 338.11 | Lombard, 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 | CIF | C10 H18 N4 O4 | P 1 21/c 1 | 6.017; 18.34; 11.778 90; 99.387; 90 | 1282.3 | Lombard, 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 | CIF | C16 H30 N8 O4 | C 1 2/c 1 | 21.847; 6.9981; 26.359 90; 102.17; 90 | 3939.4 | Lombard, 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 | CIF | C10 H18 N4 O4 | P 1 21/c 1 | 5.8215; 18.363; 11.592 90; 100.266; 90 | 1219.3 | Lombard, 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 | CIF | C12 H10 N2 O4 | P -1 | 8.74; 9.849; 13.663 73.285; 72.292; 72.343 | 1042.6 | Lombard, 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 | CIF | C24 H20 N4 O8 | P -1 | 8.7731; 9.8652; 13.9929 73.741; 72.89; 72.483 | 1079.17 | Lombard, 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 | CIF | C16 H30 N8 O4 | C 1 2/c 1 | 21.654; 6.948; 25.748 90; 101.148; 90 | 3800.7 | Lombard, 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 | CIF | C9 H8 O4 | P 1 21/n 1 | 6.6967; 5.7405; 20.7844 90; 94.953; 90 | 796.02 | Wang, 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 | CIF | C10 H10 O4 | P 1 21/n 1 | 7.2043; 11.578; 11.3815 90; 105.771; 90 | 913.61 | Wang, 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 | CIF | C26 H32 O12 | P -1 | 5.3882; 8.4135; 14.8002 77.6; 80.086; 88.273 | 645.49 | Wang, 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 | CIF | C20 H20 O8 | P 1 21/c 1 | 8.841; 10.807; 9.978 90; 112.64; 90 | 879.9 | Wang, 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 | CIF | C28 H24 N4 O7 Zn | P 1 21/n 1 | 10.792; 18.8461; 13.1548 90; 97.925; 90 | 2649.96 | Liu, 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 | CIF | C28 H22 N4 O6 Zn | C 1 2/c 1 | 29.2681; 10.0831; 22.0305 90; 129.908; 90 | 4987.1 | Liu, 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 | CIF | C18 H15 Cd N2 O6 | P -1 | 7.482; 8.3416; 14.5588 78.944; 87.671; 76.222 | 866.11 | Liu, 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 | CIF | C28 H24 N4 O7 Zn | P -1 | 9.6024; 11.8975; 13.2665 113.334; 103.141; 102.592 | 1272.3 | Liu, 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 | CIF | C45 H24 Cl N2 O3 Re | P n m a | 7.2328; 19.384; 25.55 90; 90; 90 | 3582.1 | Qiu, 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 | CIF | C14 H17 F6 O P Ru | P 21 21 21 | 9.5873; 12.2766; 12.9471 90; 90; 90 | 1523.87 | Mochida, 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 | CIF | C15 H29 B11 O Ru | P 1 21/c 1 | 9.59; 22.809; 9.636 90; 94.756; 90 | 2100.5 | Mochida, 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 | CIF | C15 H29 B11 O Ru | P -1 | 8.7042; 10.1448; 12.0722 99.046; 95.893; 96.477 | 1038.1 | Mochida, 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 | CIF | C13 H11 Na O6 S | P 1 21/c 1 | 16.2484; 11.3597; 8.2456 90; 100.148; 90 | 1498.14 | Zhang, Hui; Wang, Ming; Jiang, Xuefeng Sustainable access to sulfonic acids from halides and thiourea dioxide with air Green Chemistry, 2020, 22, 8238-8242 |
7241700 | CIF | C32 H30 Cl2 N2 O5 | C 1 2/c 1 | 16.8614; 19.0598; 8.8881 90; 103.357; 90 | 2779.1 | Zhang, 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 | CIF | C12 H17 N O2 S | P 21 21 21 | 6.27149; 13.8374; 14.1502 90; 90; 90 | 1227.97 | Scholten, 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 | CIF | C26 H26 Cl2 Fe N10 O2 | P 1 21/n 1 | 8.7562; 13.1732; 12.6457 90; 95.04; 90 | 1453.01 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241706 | CIF | C16 H16 Fe I2 N8 O2 | C 1 2/c 1 | 14.9231; 8.4115; 18.7857 90; 108.571; 90 | 2235.3 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241707 | CIF | C18 H20 Fe I2 N8 O2 | P 1 21/c 1 | 8.8231; 11.0729; 13.2703 90; 106.027; 90 | 1246.08 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241708 | CIF | C16 H12 Fe I2 N8 | P 1 21/c 1 | 8.3887; 9.639; 13.2734 90; 99.11; 90 | 1059.73 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241709 | CIF | C34 H32 Cl4 Fe2 N16 O2 | P -1 | 8.1771; 11.2544; 12.1692 91.426; 108.865; 90.318 | 1059.3 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241710 | CIF | C16 H16 Br2 Fe N8 O2 | C 1 2/c 1 | 14.7058; 8.3867; 18.3571 90; 108.439; 90 | 2147.8 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241711 | CIF | C58 H44 Br8 Fe3 N26 | C 1 2/c 1 | 19.931; 12.6943; 30.341 90; 93.819; 90 | 7659.5 | Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines CrystEngComm, 2020, 22, 8142-8150 |
7241736 | CIF | C36 H38 N10 | P 1 21/c 1 | 7.8699; 36.0925; 11.3684 90; 92.524; 90 | 3226 | Ye, 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 | CIF | C22 H19 N5 | P 1 21 1 | 7.5794; 5.6975; 21.4258 90; 97.914; 90 | 916.43 | Ye, 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 | CIF | C24 H23 N5 | P 1 21 1 | 7.73; 5.6677; 23.0411 90; 91.233; 90 | 1009.23 | Ye, 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 | CIF | C21 H23 N5 | P 1 21 1 | 7.9177; 5.9154; 19.843 90; 90.84; 90 | 929.3 | Ye, 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 | CIF | C29 H24 N4 | P 1 21/n 1 | 25.715; 5.9027; 31.344 90; 107.76; 90 | 4530.9 | Ye, 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 | CIF | C46 H37 Cd Cl I4 S32 | I 41/a :2 | 9.7369; 9.7369; 76.074 90; 90; 90 | 7212.4 | Shilov, 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 | CIF | C46 H37 Cd Cl I4 S32 | I 1 2/a 1 | 9.6448; 76.132; 9.7076 90; 90.2; 90 | 7128 | Shilov, 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 | CIF | C46 H37 Cd Cl I4 S32 | I -1 | 9.5531; 9.7052; 76.0688 89.884; 89.917; 89.798 | 7052.6 | Shilov, 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 | CIF | C8 H12 Cd N2 O2 S4 | P n m a | 13.1254; 13.6595; 8.5225 90; 90; 90 | 1527.97 | Adhikari, 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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