Crystallography Open Database
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Searching volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548700 | CIF | C14 H19 B10 N | P -1 | 8.9977; 9.8055; 11.2475 87.61; 66.4692; 73.9029 | 871.46 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548701 | CIF | C36 H67 B10 Li O10 | P -1 | 11.9668; 12.4954; 14.9348 87.27; 75.356; 88.638 | 2158 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548702 | CIF | C29 H25 N O3 S | P 1 21 1 | 9.769; 13.123; 10.039 90; 114.345; 90 | 1172.5 | Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines. Chemical science, 2018, 9, 1831-1835 |
| 1548722 | CIF | C12 H15 O P | P 21 21 21 | 8.6681; 10.3977; 11.4123 90; 90; 90 | 1028.57 | Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination. Chemical science, 2018, 9, 1867-1872 |
| 1548723 | CIF | C26 H49 O3 Sc Si2 | P 1 21 1 | 8.2245; 17.776; 10.845 90; 109.79; 90 | 1491.9 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548724 | CIF | C26 H49 Lu O3 Si2 | P 1 21 1 | 8.2286; 17.857; 10.889 90; 109.76; 90 | 1505.8 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548725 | CIF | C28 H53 Lu O3 Si2 | P 1 21/n 1 | 13.3321; 15.5971; 16.0371 90; 104.67; 90 | 3226.1 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548738 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6048; 7.4486; 9.5237 90; 90; 90 | 1036.04 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548739 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7295; 7.3639; 9.5828 90; 90; 90 | 1039.41 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548740 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7688; 7.3395; 9.5973 90; 90; 90 | 1040.31 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548741 | CIF | Cl Co H15 N7 O5 | P n m a | 14.5868; 7.4684; 9.513 90; 90; 90 | 1036.35 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548742 | CIF | Cl Co H15 N7 O5 | P n m a | 14.471; 7.5428; 9.4556 90; 90; 90 | 1032.1 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548743 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7589; 7.348; 9.5909 90; 90; 90 | 1040.12 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548744 | CIF | Cl Co H15 N7 O5 | P n m a | 14.5467; 7.4933; 9.4931 90; 90; 90 | 1034.77 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548745 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6615; 7.4138; 9.5536 90; 90; 90 | 1038.45 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548746 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7005; 7.3877; 9.5676 90; 90; 90 | 1039.07 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548747 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6166; 7.4465; 9.5286 90; 90; 90 | 1037.12 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548748 | CIF | Cl Co H15 N7 O5 | P n m a | 14.4836; 7.5409; 9.4574 90; 90; 90 | 1032.93 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548749 | CIF | Cl Co H15 N7 O5 | P n m a | 14.8308; 7.2957; 9.6188 90; 90; 90 | 1040.76 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548752 | CIF | C34 H33 F4 Mg N3 | P c a 21 | 24.8934; 13.45834; 18.5282 90; 90; 90 | 6207.39 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548753 | CIF | C58.5 H81 Mg N4 Zn | P -1 | 11.7887; 12.0703; 21.6822 80.152; 74.593; 66.945 | 2729 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548754 | CIF | C81 H115 F3 Mg3 N6 | P -1 | 14.5708; 14.6964; 18.2421 91.379; 93.348; 91.651 | 3896.7 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548755 | CIF | C35.5 H36.5 F4 Mg N3 | P -1 | 11.8799; 16.0457; 17.2413 83.738; 85.661; 88.935 | 3257.4 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548756 | CIF | C59 H84 Mg N6 Zn | C 1 2/c 1 | 10.18598; 24.1833; 23.1663 90; 99.0832; 90 | 5635.01 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548757 | CIF | C46 H58 Mg N4 Zn | P 1 2/n 1 | 13.4443; 8.2978; 19.6313 90; 102.544; 90 | 2137.75 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548758 | CIF | C46.5 H56 F4 N3 Zn | I 1 2/a 1 | 15.6052; 24.2499; 23.5838 90; 102.23; 90 | 8722.1 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548759 | CIF | C56 H78 Mg N4 O Zn | P 1 21/n 1 | 12.3877; 22.4084; 19.0461 90; 90.149; 90 | 5287 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548760 | CIF | C65 H99 Al Mg N4 | I 1 2/a 1 | 21.9257; 15.7003; 37.0659 90; 97.8995; 90 | 12638.5 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548761 | CIF | C58 H82 N4 Zn3 | P 1 21/n 1 | 12.7429; 17.3446; 13.026 90; 101.313; 90 | 2823.07 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548762 | CIF | C54 H75 Al N4 Zn | P 21 21 21 | 13.75991; 13.8927; 26.733 90; 90; 90 | 5110.34 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548769 | CIF | C17 H19 Cl O4 | P 21 21 21 | 6.9832; 8.5007; 26.483 90; 90; 90 | 1572.1 | Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M. Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols. Chemical science, 2018, 9, 2547-2551 |
| 1548770 | CIF | C17 H6 Cl7 N2 | P 1 21/n 1 | 8.7015; 14.84; 14.86 90; 105.517; 90 | 1848.9 | Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes. Chemical science, 2018, 9, 1996-2007 |
| 1548829 | CIF | C260 H338 Au42 S26 | P -1 | 24.328; 24.845; 32.217 67.732; 76.94; 84.496 | 17553 | Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun Is the kernel-staples match a key-lock match? Chemical science, 2018, 9, 2437-2442 |
| 1548838 | CIF | C18 H26 N4 O6 S | P 1 | 7.4225; 16.5812; 21.1102 82.789; 85.375; 84.403 | 2559.1 | Lee, Jisun; Joullié, Madeleine M Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy. Chemical science, 2018, 9, 2432-2436 |
| 1548839 | CIF | C21 H23 Ni0.5 O4 | P 1 21/n 1 | 9.6006; 15.4568; 11.7534 90; 93.542; 90 | 1740.8 | Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K. Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation. Chemical science, 2018, 9, 2817-2825 |
| 1548853 | CIF | C23 H26 N2 O2 S2 | P -1 | 7.4148; 10.3516; 14.6348 82.054; 79.877; 73.007 | 1053.02 | Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science, 2018, 9, 2666-2673 |
| 1548854 | CIF | C25 H30 N2 O2 S2 | P 1 21/a 1 | 10.7685; 14.2394; 16.386 90; 108.759; 90 | 2379.1 | Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science, 2018, 9, 2666-2673 |
| 1548856 | CIF | C44 H36 N2 | P 1 21/c 1 | 8.6947; 17.563; 10.737 90; 97.361; 90 | 1626.1 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548857 | CIF | C46 H34 N4 O4 | P 1 21/c 1 | 14.1565; 17.917; 14.4208 90; 99.826; 90 | 3604.1 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548858 | CIF | C46 H34 N4 | P -1 | 11.856; 12.147; 13.446 102.687; 111.422; 93.005 | 1739.8 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548860 | CIF | C42 H36.34 N O2.17 P | P 21 21 21 | 13.9558; 15.4622; 30.6296 90; 90; 90 | 6609.5 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548861 | CIF | C22 H20 Cl F6 N | P 1 21 1 | 11.4023; 8.446; 12.168 90; 117.387; 90 | 1040.49 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548862 | CIF | C24 H30 Cl N | P 21 21 21 | 8.332; 11.3877; 22.1875 90; 90; 90 | 2105.2 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548863 | CIF | C46.5 H39 Cl N O2 P | P 1 21 1 | 13.9275; 18.6673; 15.2746 90; 110.757; 90 | 3713.47 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548864 | CIF | C42.45 H36.9 Cl0.9 N O2 P | P 21 21 2 | 24.2085; 16.0031; 8.8283 90; 90; 90 | 3420.18 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548865 | CIF | C50 H82 B Cl N6 Ni O2 Si2 | C 1 2/c 1 | 27.8322; 21.4898; 26.4066 90; 116.468; 90 | 14138.5 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548866 | CIF | C44 H71 B Cl N5 Ni O3 Si2 | P 1 21/c 1 | 10.8782; 25.2119; 17.866 90; 91.948; 90 | 4897.1 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548867 | CIF | C38 H63 B Cl N5 O2 | P -1 | 9.8905; 12.6054; 16.945 69.66; 89.159; 78.594 | 1938.4 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:→ Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548868 | CIF | C66 H105 B Cl N6 Ni O6 Si2 | P -1 | 11.0148; 14.6131; 22.793 84.552; 83.601; 70.398 | 3428.1 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548869 | CIF | C27 H49 B Cl N5 | P 1 21/n 1 | 13.7173; 15.3059; 15.7157 90; 110.275; 90 | 3095.16 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548870 | CIF | C33 H59 B Cl N5 O | P b c a | 15.6878; 12.3457; 36.8495 90; 90; 90 | 7136.9 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548871 | CIF | C51 H78 B Cl N6 Ni O2 Si2 | P 1 21/c 1 | 14.0633; 26.4632; 18.1718 90; 100.801; 90 | 6643 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548872 | CIF | C15 H12 F6 N O P | P 1 21 1 | 10.17707; 8.43885; 18.8541 90; 101.724; 90 | 1585.46 | Sun, Y.; Cramer, N. Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides. Chemical science, 2018, 9, 2981-2985 |
| 1548873 | CIF | C65 H60 Cl6 O4 Rh2 | P 21 21 21 | 9.524; 17.1108; 36.4272 90; 90; 90 | 5936.3 | Sun, Y.; Cramer, N. Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides. Chemical science, 2018, 9, 2981-2985 |
| 1548874 | CIF | C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 | P 1 21/n 1 | 10.4786; 16.101; 16.7081 90; 92.821; 90 | 2815.5 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548875 | CIF | C18 H39 Ag B10 N2 O7 P2 Ru | P 1 n 1 | 10.6009; 13.8331; 11.0738 90; 103.867; 90 | 1576.57 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548876 | CIF | C32 H72 Au2 B20 Cl2 O8 P4 Ru2 | P 1 21/c 1 | 12.421; 12.596; 19.0782 90; 101.457; 90 | 2925.4 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548877 | CIF | C60 H36 Fe N14 S2 | P -1 | 7.945; 8.8188; 17.5482 77.665; 82.466; 81.092 | 1180.51 | Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions. Chemical science, 2018, 9, 2892-2897 |
| 1548878 | CIF | C60 H36 Fe N14 S2 | P -1 | 8.002; 9.1057; 17.7358 76.787; 82.257; 80.099 | 1233.2 | Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions. Chemical science, 2018, 9, 2892-2897 |
| 1548879 | CIF | C20 H36 B2 Co F8 N6 O2 | P 1 2/n 1 | 8.3869; 7.9947; 19.4819 90; 90.1405; 90 | 1306.27 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548880 | CIF | C22 H37 B2 Co F8 N7 O | C 1 2/c 1 | 28.1807; 13.2001; 20.3454 90; 129.871; 90 | 5808.5 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548881 | CIF | C20 H28 B2 Co F8 N6 | P 21 21 21 | 9.8793; 14.9748; 17.3244 90; 90; 90 | 2563 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548882 | CIF | C24 H38 B2 Co F8 N8 | C 1 2/c 1 | 30.4582; 20.3058; 17.0511 90; 120.178; 90 | 9116.5 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548883 | CIF | C52 H54 Ba2 F12 Fe2 N6 O24 S4 | P -1 | 10.8491; 11.7518; 14.5176 75.9118; 86.5298; 71.8096 | 1705.3 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548884 | CIF | C46 H48 F6 Fe2 K2 N4 O19 S2 | C 1 2/c 1 | 32.941; 8.2524; 21.7664 90; 108.302; 90 | 5617.7 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548885 | CIF | C26 H27 Ba Cl F6 Fe N3 O12 S2 | P -1 | 9.7023; 12.7853; 15.6368 106.971; 104.413; 98.178 | 1747.82 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548886 | CIF | C23 H24 Cl F3 Fe K N2 O9 S | P 1 21/n 1 | 11.253; 17.652; 13.5982 90; 90.075; 90 | 2701.1 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548887 | CIF | C26 H27 Ba F6 Fe N3 O12.5 S2 | P b c m | 9.5075; 27.3543; 28.8412 90; 90; 90 | 7500.8 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548888 | CIF | C22 H24 O6 S2 | P -1 | 5.5834; 7.362; 12.537 91.1515; 93.4047; 100.667 | 505.28 | Kalelkar, Pranav P.; Collard, David M. Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol–ene chemistry Polymer Chemistry, 2018, 9, 1022 |
| 1548897 | CIF | C16 H23 Cl Co F6 N4 O6 S2 | P 1 21/n 1 | 8.8511; 24.5258; 11.1501 90; 97.066; 90 | 2402.1 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548898 | CIF | C19 H28 Co F6 N4 O8 S2 | C 1 c 1 | 12.8115; 24.0973; 8.7902 90; 96.927; 90 | 2693.9 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548899 | CIF | C21 H29 Co F6 N7 O6 S2 | P 1 21/n 1 | 14.2091; 13.4658; 15.184 90; 93.295; 90 | 2900.46 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548900 | CIF | C16 H24 Co F6 N4 O6 S2 | P b c a | 9.312; 16.956; 29.498 90; 90; 90 | 4657.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548901 | CIF | C18 H29 Co F6 N5 O6 S2 | P 1 21/n 1 | 8.802; 24.936; 12.694 90; 94.038; 90 | 2779.2 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548902 | CIF | C19 H30 Co F6 N4 O7 S2 | P 1 21/c 1 | 11.9921; 15.4423; 15.8756 90; 108.403; 90 | 2789.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548904 | CIF | C27 H32 B2 N Na O5 | P b c m | 14.245; 17.905; 11.3809 90; 90; 90 | 2902.8 | Zhang, Li; Jiao, Lei Super electron donors derived from diboron. Chemical science, 2018, 9, 2711-2722 |
| 1548905 | CIF | C32 H38 B K N2 O4 | P 1 21 1 | 12.3892; 40.276; 12.9956 90; 90.798; 90 | 6484 | Zhang, Li; Jiao, Lei Super electron donors derived from diboron. Chemical science, 2018, 9, 2711-2722 |
| 1548906 | CIF | C52 H57 N O2 P2 S2 Ti | P 1 21/c 1 | 14.314; 12.233; 27.034 90; 102.751; 90 | 4617 | Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. Room temperature olefination of methane with titanium-carbon multiple bonds. Chemical science, 2018, 9, 3376-3385 |
| 1548907 | CIF | C56 H65 N7 P2 Ti | P 1 21/n 1 | 11.835; 19.146; 22.47 90; 102.101; 90 | 4978.4 | Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. Room temperature olefination of methane with titanium-carbon multiple bonds. Chemical science, 2018, 9, 3376-3385 |
| 1548910 | CIF | C20 H28 Cl3 N4 O4 Ru | P 1 21/c 1 | 11.0085; 13.2457; 15.8552 90; 92.636; 90 | 2309.5 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548911 | CIF | C22 H29 Cl3 N5 O4 Ru | P 21 21 21 | 8.6233; 12.5838; 23.552 90; 90; 90 | 2555.7 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548912 | CIF | C22 H32 Cl3 N4 O4 Ru | P 1 2 1 | 10.505; 10.579; 11.649 90; 101.09; 90 | 1270.4 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548913 | CIF | C32 H38 Cl2 N6 O8 Ru | P 1 21 1 | 8.1503; 16.4241; 12.805 90; 99.016; 90 | 1692.9 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548914 | CIF | C31.65 H36.48 Cl2 N6.83 O8 Ru | P -1 | 9.912; 17.5103; 21.2883 81.245; 80.941; 83.022 | 3588.2 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548915 | CIF | C78 H58 Mn3.5 N4 O24 S10 | P -1 | 14.38; 15.3958; 21.7726 74.25; 71.751; 82.351 | 4399.85 | Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K. Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework. Chemical science, 2018, 9, 3282-3289 |
| 1548916 | CIF | C100 H17.5 Mn3.5 N10 O24 | P -1 | 14.639; 16.743; 20.551 100.913; 106.78; 100.119 | 4591.03 | Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K. Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework. Chemical science, 2018, 9, 3282-3289 |
| 1548917 | CIF | C32 H68 N8 Th | P -1 | 10.383; 11.3585; 17.4827 89.777; 89.404; 63.76 | 1849.26 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548918 | CIF | C35 H69 N9 Si Th | P 1 21/c 1 | 16.9023; 11.4723; 21.7432 90; 95.127; 90 | 4199.3 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548919 | CIF | C30 H62 N6 O2 Si Th | P -1 | 9.4981; 11.95; 16.888 90.32; 99.06; 102.29 | 1848 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548920 | CIF | C29 H62 N6 O Si Th | P -1 | 12.986; 16.992; 17.337 103.843; 97.592; 93.871 | 3662.3 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548921 | CIF | C13.75 H25 N3 Th0.5 | P -1 | 11.5082; 12.3194; 12.8462 61.8432; 79.157; 86.2752 | 1576.47 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548922 | CIF | C37 H71 N7 Si Th | P 1 21/n 1 | 10.9839; 20.99; 18.246 90; 93.46; 90 | 4199 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548923 | CIF | C34 H67 N7 Si Th | P 1 21/n 1 | 12.6373; 17.8743; 17.1544 90; 90.033; 90 | 3874.9 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548924 | CIF | C56 H87 B N6 O2 Th | P 1 21/c 1 | 18.6971; 15.8036; 18.9111 90; 103.688; 90 | 5429.2 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548925 | CIF | C32 H67 B N6 Th | P 1 21/n 1 | 12.1573; 18.4711; 16.3766 90; 90.215; 90 | 3677.5 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548926 | CIF | C33 H58 N6 Th | P 1 21/c 1 | 19.0249; 10.3942; 19.133 90; 110.105; 90 | 3553 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548927 | CIF | C33 H63 N6 P Th | P 1 21/n 1 | 22.5782; 13.2908; 25.4828 90; 100.332; 90 | 7522.9 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548928 | CIF | C40 H42 Br2 F22 N2 Ni | P n m a | 13.1834; 34.0491; 10.3637 90; 90; 90 | 4652.1 | Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization Polymer Chemistry, 2018, 9, 1234 |
| 1548929 | CIF | C49 H44 Br2 Cl2 F22 N2 Ni | I b a m | 20.5269; 21.5497; 34.938 90; 90; 90 | 15455 | Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization Polymer Chemistry, 2018, 9, 1234 |
| 1548939 | CIF | C22 H23 N O2 Si | P 1 21 1 | 10.4794; 7.0464; 13.4791 90; 100.094; 90 | 979.92 | Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L. An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes. Chemical science, 2018, 9, 3221-3226 |
| 1548940 | CIF | C22 H23 N O2 Si | P 21 21 21 | 9.4164; 11.6775; 17.207 90; 90; 90 | 1892.08 | Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L. An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes. Chemical science, 2018, 9, 3221-3226 |
| 1548941 | CIF | C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh | P -1 | 12.9788; 15.9249; 18.4205 77.6077; 73.186; 88.345 | 3557.34 | Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton <b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst. Chemical science, 2018, 9, 3644-3648 |
| 1548942 | CIF | C70.5 H46 B F24 I N O P2 Rh | P -1 | 12.9235; 15.961; 18.3296 79.049; 71.52; 88.475 | 3518.3 | Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton <b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst. Chemical science, 2018, 9, 3644-3648 |
| 1548943 | CIF | C18 H22 N2 O3 S | P 1 21/c 1 | 17.417; 7.3299; 13.5997 90; 95.37; 90 | 1728.58 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548944 | CIF | C28 H26 N2 O3 S | P 1 21/c 1 | 13.9904; 8.4064; 21.36 90; 104.491; 90 | 2432.21 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548945 | CIF | C18 H22 N2 O3 S | P 1 21/c 1 | 12.3308; 16.1714; 8.8646 90; 94.241; 90 | 1762.8 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548946 | CIF | C21 H26 N2 O3 S | P 1 21/n 1 | 9.0836; 21.4854; 9.9912 90; 92.112; 90 | 1948.61 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548947 | CIF | C24 H26 N2 O3 S | P 1 21/c 1 | 9.8261; 13.6201; 16.2063 90; 96.868; 90 | 2153.37 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548948 | CIF | C16 H18 N2 O3 S | C 1 2/c 1 | 10.99; 9.6096; 29.66 90; 94.047; 90 | 3124.6 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548949 | CIF | C12 H12 F4 O | P 21 21 21 | 6.0422; 11.778; 15.448 90; 90; 90 | 1099.4 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548950 | CIF | C12 H14 F2 O | P 21 21 21 | 5.25889; 9.75241; 20.4698 90; 90; 90 | 1049.83 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548951 | CIF | C12 H14 F2 O | P 1 21/a 1 | 13.5173; 5.57303; 27.4909 90; 90.469; 90 | 2070.88 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548952 | CIF | C12 H14 F2 O | P 1 21/c 1 | 10.536; 19.983; 10.272 90; 107.972; 90 | 2057.2 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548953 | CIF | C12 H15 F O | P 21 21 21 | 5.33024; 9.6528; 20.0332 90; 90; 90 | 1030.74 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548954 | CIF | C31 H34 O4 S | P 61 | 21.247; 21.247; 11.2694 90; 90; 120 | 4405.8 | Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration. Chemical science, 2018, 9, 3305-3312 |
| 1548967 | CIF | C57 H76 Cl3 P2 Pt | P 1 21/n 1 | 18.7426; 13.6265; 22.2266 90; 92.9084; 90 | 5669.3 | Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers Polymer Chemistry, 2018, 9, 1772 |
| 1548968 | CIF | C62 H54 N2 O2 P2 Pt | P -1 | 9.5747; 10.0025; 14.5919 75.3868; 73.7957; 81.3096 | 1293.65 | Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers Polymer Chemistry, 2018, 9, 1772 |
| 1548969 | CIF | C31 H27 N3 O3 | P -1 | 7.6914; 8.8535; 18.0798 91.235; 97.803; 92.431 | 1218.2 | Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L. Spironaphthoxazine switchable dyes for biological imaging. Chemical science, 2018, 9, 3029-3040 |
| 1548970 | CIF | C308 H374 N23 O12 P3 | P -1 | 21.138; 21.616; 21.948 118.123; 106.659; 99.169 | 7942 | Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H. Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles. Chemical science, 2018, 9, 2863-2872 |
| 1548971 | CIF | C365.84 H508.52 Cl14.16 N26 O29.28 P7 | P -1 | 19.692; 22.3708; 25.201 97.908; 108.437; 113.456 | 9208.2 | Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H. Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles. Chemical science, 2018, 9, 2863-2872 |
| 1548975 | CIF | C26 H15 N6 O11 Zn2 | I 4 | 27.458; 27.458; 18.225 90; 90; 90 | 13741 | Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying A trichromatic MOF composite for multidimensional ratiometric luminescent sensing. Chemical science, 2018, 9, 2918-2926 |
| 1548976 | CIF | C58.5 H43.5 F6 N6.5 O2.5 Zn | P 1 21/n 1 | 10.7604; 51.619; 18.6745 90; 98.394; 90 | 10261.5 | Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J. Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins. Chemical science, 2018, 9, 2952-2960 |
| 1548977 | CIF | C9.4 H4 D5.61 O5 V | I 41 2 2 | 15.1723; 15.1723; 12.0747 90; 90; 90 | 2779.58 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548978 | CIF | C10.63 H4 D8.95 O5 V | I 41 2 2 | 15.1668; 15.1668; 12.0716 90; 90; 90 | 2776.85 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548979 | CIF | C9.01 H4 D4.06 O5 V | I 41 2 2 | 15.16316; 15.16316; 12.0746 90; 90; 90 | 2776.21 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548980 | CIF | C10 H4 D2 O5 V | I 41 2 2 | 15.1613; 15.1613; 12.0687 90; 90; 90 | 2774.17 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548981 | CIF | C10.14 H4 D4.28 O5 V | I 41 2 2 | 15.1594; 15.1594; 12.071 90; 90; 90 | 2774.01 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548982 | CIF | C10.07 H4 D6.2 O5 V | I 41 2 2 | 15.1661; 15.1661; 12.0725 90; 90; 90 | 2776.8 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548983 | CIF | C11.56 H4 D3.56 O5 V | I 41 2 2 | 15.1457; 15.1457; 12.0519 90; 90; 90 | 2764.61 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548984 | CIF | C15 H10 B5 F30 K5 | P -1 | 10.9621; 12.9672; 13.9252 111.325; 99.442; 105.532 | 1699.54 | Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A. Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies. Chemical science, 2018, 9, 3215-3220 |
| 1548989 | CIF | C21 H15 F6 N2 O P | C 1 2/c 1 | 6.861; 10.695; 23.818 90; 96.101; 90 | 1737.8 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548990 | CIF | C22 H15 F6 O2 P | P -1 | 8.4805; 8.5013; 14.7698 74.017; 89.013; 64.503 | 917.65 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548991 | CIF | C23 H18 F6 N O P | P -1 | 14.162; 15.264; 20.039 87.939; 85.555; 62.365 | 3826.1 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548992 | CIF | C24 H21 F6 N2 P | P c c n | 14.5591; 21.6499; 13.0273 90; 90; 90 | 4106.2 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548993 | CIF | C35 H35 Cl2 F3 N8 Ni O3 S | P -1 | 10.0222; 12.1506; 16.0254 69.063; 75.075; 81.389 | 1757.6 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548994 | CIF | C22 H35 N | P 1 21/c 1 | 17.6983; 6.2954; 17.442 90; 102.677; 90 | 1896 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548995 | CIF | C33 H33 N8 Ni | P 21 21 21 | 10.1802; 20.4136; 26.689 90; 90; 90 | 5546.4 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548996 | CIF | C16 H12 F3 N O4 S | P -1 | 8.4561; 8.5762; 12.4229 110.047; 111.941; 90.1156 | 776.24 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548997 | CIF | C25 H22 F3 N O3 S | P b c a | 16.8152; 15.0512; 17.5637 90; 90; 90 | 4445.18 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548998 | CIF | C25 H22 F3 N O4 S | P 1 21/c 1 | 16.8716; 7.8975; 16.7075 90; 90.3044; 90 | 2226.13 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548999 | CIF | C23 H20 F3 N O4 S | P 1 21/n 1 | 14.6966; 9.1174; 17.3812 90; 116.062; 90 | 2092.17 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1549000 | CIF | C9 H12 O4 S2 | P 1 21 1 | 7.5406; 7.8875; 8.9868 90; 95.198; 90 | 532.31 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549001 | CIF | C7 H10 O3 S2 | P 21 21 21 | 7.5535; 12.2965; 19.9749 90; 90; 90 | 1855.3 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549002 | CIF | C9 H12 O5 S | P 21 21 21 | 6.0784; 9.833; 17.9994 90; 90; 90 | 1075.8 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549003 | CIF | C28 H44 Li2 N6 | P 1 21/n 1 | 9.746; 25.413; 11.319 90; 105.55; 90 | 2700.8 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549004 | CIF | C20 H36 Li2 N6 | P 1 21/c 1 | 12.7937; 9.7101; 18.6728 90; 94.3121; 90 | 2313.12 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549005 | CIF | C40 H68 Li2 N6 | P 1 21/c 1 | 13.864; 30.46; 9.851 90; 105.18; 90 | 4014.9 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549011 | CIF | C27 H29 Cl F6 N2 P Rh | P 1 21/n 1 | 15.9555; 11.5878; 17.1391 90; 116.061; 90 | 2846.6 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549012 | CIF | C20 H23 Cl F6 N2 P Rh | P m n 21 | 12.9507; 8.31; 10.5094 90; 90; 90 | 1131.02 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549013 | CIF | C31 H37 Cl F6 N2 O2 P Rh | P -1 | 8.51582; 13.5384; 14.2569 94.5969; 92.9146; 92.6758 | 1634.15 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549014 | CIF | C36 H35 Cl F6 N2 O P Rh | P -1 | 8.7508; 14.4955; 14.5101 84.91; 74.415; 82.382 | 1754.53 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549015 | CIF | C25 H28 F12 N3 O0.5 P2 Rh | P -1 | 9.84864; 10.1712; 16.1627 101.363; 90.9323; 109.801 | 1487.41 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549016 | CIF | C36 H39 Cl F6 N2 O P Rh | P 1 21/n 1 | 8.0233; 28.1842; 16.1096 90; 94.393; 90 | 3632.2 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549017 | CIF | C34 H35 Cl F6 N2 O P Rh | P -1 | 8.40215; 12.9603; 15.392 80; 86.442; 86.175 | 1644.79 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549018 | CIF | C28 H29 Cl F6 N2 O P Rh | P -1 | 8.20707; 10.08952; 17.2032 82.3397; 81.4575; 84.0175 | 1390.95 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549020 | CIF | C27 H20 N2 O3 S | P 1 21/c 1 | 12.6727; 15.398; 11.9061 90; 110.633; 90 | 2174.3 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549021 | CIF | C15 H11 N O3 S | P -1 | 7.089; 7.256; 13.569 85.46; 77.9; 70.37 | 642.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549022 | CIF | C27 H18 N2 O3 S | C 1 2 1 | 25.719; 7.5368; 11.759 90; 116.39; 90 | 2041.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549023 | CIF | C17 H16 N2 O3 S | P 1 21/n 1 | 8.172; 9.666; 20.305 90; 99.512; 90 | 1581.9 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549029 | CIF | C86 H162 Co Cr7 F8 N O33 | I 4 | 19.9066; 19.9066; 16.1991 90; 90; 90 | 6419.3 | Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions. Chemical science, 2018, 9, 3555-3562 |
| 1549035 | CIF | C3 H6 N3 O10 P | P 1 21/c 1 | 12.37; 8.1257; 9.943 90; 97.638; 90 | 990.6 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549036 | CIF | C4 H7 N3 O9 | P -1 | 7.6451; 7.8238; 8.9723 100.557; 96.753; 114.76 | 467.59 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549042 | CIF | C17 H19 B F4 N2 O | P 1 21/c 1 | 19.5805; 9.7595; 8.9644 90; 103.158; 90 | 1668.08 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549043 | CIF | C31 H35 B N2 O | P 21 21 21 | 9.49835; 11.89113; 22.8675 90; 90; 90 | 2582.8 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549044 | CIF | C10 H16 I N O | P 1 21 1 | 5.40542; 6.94898; 16.0701 90; 95.864; 90 | 600.47 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549045 | CIF | C40 H66 Cl2 N10 O16 | I 1 2/a 1 | 15.1489; 13.2904; 24.594 90; 97.293; 90 | 4911.6 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549046 | CIF | C17 H19 Cl N2 O | P 1 21/c 1 | 18.7661; 8.8339; 9.6084 90; 100.318; 90 | 1567.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549047 | CIF | C19 H26 Cl N5 O3 | P 1 21/c 1 | 7.10113; 13.625; 20.6821 90; 91.5054; 90 | 2000.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549048 | CIF | C22 H32 N2 O6 | C 1 2 1 | 13.5545; 5.84781; 14.1657 90; 110.071; 90 | 1054.64 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549049 | CIF | C14 H18 F18 K N3 P2 S | P 1 21/c 1 | 24.3732; 10.4084; 9.9932 90; 93.1701; 90 | 2531.26 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549050 | CIF | C34 H42 N4 O8 S | P 1 21 1 | 8.6454; 9.463; 20.0392 90; 96.753; 90 | 1628.06 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549051 | CIF | C17 H21 N2 O5 P | P 1 21/c 1 | 20.7561; 9.5134; 8.5352 90; 96.5078; 90 | 1674.51 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549052 | CIF | C14 H18 Br F6 N3 S | P 1 21/c 1 | 10.9874; 14.2737; 23.2106 90; 90.2783; 90 | 3640.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549053 | CIF | C38 H48.7 N4 O11.35 | P 1 21 1 | 8.81; 9.7133; 21.7147 90; 100.169; 90 | 1829.03 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549054 | CIF | C18 H19 N3 O S | P 1 21/c 1 | 19.8981; 8.0213; 10.8806 90; 100.435; 90 | 1707.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549055 | CIF | C17 H19 I N2 O | P 1 21/c 1 | 19.6674; 8.1224; 10.8447 90; 105.289; 90 | 1671.09 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549056 | CIF | C10 H16 I N O | P 21 21 21 | 7.32726; 18.9411; 25.6662 90; 90; 90 | 3562.12 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549057 | CIF | C10 H16 Cl N O | P 1 21 1 | 7.2565; 6.1232; 12.557 90; 102.256; 90 | 545.23 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549058 | CIF | C11 H16 N2 O S | P 21 21 21 | 6.09862; 7.52704; 27.3811 90; 90; 90 | 1256.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549059 | CIF | C42 H46 N4 O16 Sb2 | C 1 2 1 | 22.3684; 8.4156; 15.6852 90; 130.585; 90 | 2242.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549060 | CIF | C31 H35 B N2 O | P 1 21/n 1 | 10.1433; 18.6189; 14.0467 90; 99.569; 90 | 2615.91 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549061 | CIF | C10 H16 Br N O | P 1 21 1 | 7.4467; 6.20961; 12.5863 90; 101.176; 90 | 570.97 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549062 | CIF | C36 H38 N4 O8 | P 1 21 1 | 9.0081; 9.3218; 19.4957 90; 95.351; 90 | 1629.95 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549063 | CIF | C19 H23 Cl I N5 O | P 1 21/c 1 | 12.9279; 12.5457; 13.139 90; 109.843; 90 | 2004.48 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549068 | CIF | C140.5 H113.5 Cl5.5 O1.5 | P -1 | 15.3025; 16.0955; 22.2445 94.998; 108.991; 92.221 | 5147.8 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549069 | CIF | C116 H103 F3 O4 S | P -1 | 14.3675; 17.3718; 18.9206 67.525; 86.143; 89.598 | 4352.9 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549072 | CIF | C75 H61 B Cl5 F4 O3 Os P3 S2 | P 1 21/c 1 | 24.7978; 14.1129; 20.1547 90; 96.645; 90 | 7006.1 | Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer Polymer Chemistry, 2018, 9, 2092 |
| 1549073 | CIF | C77 H59 B Cl F4 O3 Os P3 S3 | P -1 | 11.1803; 14.1709; 23.4379 76.653; 84.029; 69.337 | 3379.62 | Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer Polymer Chemistry, 2018, 9, 2092 |
| 1549077 | CIF | C21 H18 Cl N3 | P 21 3 | 13.484; 13.484; 13.484 90; 90; 90 | 2451.6 | Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization Polymer Chemistry, 2018, 9, 2183 |
| 1549078 | CIF | C36 H26 N2 O2 | P 1 21/c 1 | 29.8205; 8.8627; 25.1375 90; 110.05; 90 | 6241 | Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly Polymer Chemistry, 2018, 9, 2021 |
| 1549080 | CIF | C25 H15 N O2 | P 1 21/n 1 | 15.4892; 7.8471; 15.5804 90; 114.831; 90 | 1718.65 | Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P. Mechano-induced persistent room-temperature phosphorescence from purely organic molecules. Chemical science, 2018, 9, 3782-3787 |
| 1549081 | CIF | C57 H83 B2 Li O4 | P c c n | 21.5605; 26.1802; 19.2608 90; 90; 90 | 10871.9 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549082 | CIF | C56 H85 B2 Li O4 | P 1 21/n 1 | 10.7242; 21.4641; 24.027 90; 97.208; 90 | 5487 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549083 | CIF | C44 H56 B2 | P -1 | 5.974; 14.639; 21.461 82.273; 89.91; 86.79 | 1856.8 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549084 | CIF | C66 H98 B2 Li2 O7 | P 1 21/c 1 | 12.9451; 18.3459; 27.0962 90; 101.393; 90 | 6308.3 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549085 | CIF | C53 H75 B2 Li O3 | P 1 21 1 | 14.775; 19.9973; 17.9098 90; 109.105; 90 | 5000.2 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549086 | CIF | C61 H90 B2 Cl Li O8 | F d d 2 | 12.2698; 43.946; 21.961 90; 90; 90 | 11841.6 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549087 | CIF | C63 H87 B2 Li O4 | P 1 21/c 1 | 19.497; 24.7864; 23.972 90; 92.463; 90 | 11574 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549088 | CIF | C43 H54 B2 | P c a 21 | 41.344; 14.272; 6.1349 90; 90; 90 | 3620 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549089 | CIF | C70 H84 B2 O | P -1 | 10.4041; 11.5484; 25.736 79.323; 85.313; 81.22 | 2998.51 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
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