Crystallography Open Database

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1548838 CIFC18 H26 N4 O6 SP 17.4225; 16.5812; 21.1102
82.789; 85.375; 84.403
2559.1Lee, 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 CIFC21 H23 Ni0.5 O4P 1 21/n 19.6006; 15.4568; 11.7534
90; 93.542; 90
1740.8Vijaykumar, 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 CIFC23 H26 N2 O2 S2P -17.4148; 10.3516; 14.6348
82.054; 79.877; 73.007
1053.02Suzuki, 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 CIFC25 H30 N2 O2 S2P 1 21/a 110.7685; 14.2394; 16.386
90; 108.759; 90
2379.1Suzuki, 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 CIFC44 H36 N2P 1 21/c 18.6947; 17.563; 10.737
90; 97.361; 90
1626.1Sun, 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 CIFC46 H34 N4 O4P 1 21/c 114.1565; 17.917; 14.4208
90; 99.826; 90
3604.1Sun, 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 CIFC46 H34 N4P -111.856; 12.147; 13.446
102.687; 111.422; 93.005
1739.8Sun, 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 CIFC42 H36.34 N O2.17 PP 21 21 2113.9558; 15.4622; 30.6296
90; 90; 90
6609.5Ardkhean, 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 CIFC22 H20 Cl F6 NP 1 21 111.4023; 8.446; 12.168
90; 117.387; 90
1040.49Ardkhean, 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 CIFC24 H30 Cl NP 21 21 218.332; 11.3877; 22.1875
90; 90; 90
2105.2Ardkhean, 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 CIFC46.5 H39 Cl N O2 PP 1 21 113.9275; 18.6673; 15.2746
90; 110.757; 90
3713.47Ardkhean, 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 CIFC42.45 H36.9 Cl0.9 N O2 PP 21 21 224.2085; 16.0031; 8.8283
90; 90; 90
3420.18Ardkhean, 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 CIFC50 H82 B Cl N6 Ni O2 Si2C 1 2/c 127.8322; 21.4898; 26.4066
90; 116.468; 90
14138.5Hadlington, 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 CIFC44 H71 B Cl N5 Ni O3 Si2P 1 21/c 110.8782; 25.2119; 17.866
90; 91.948; 90
4897.1Hadlington, 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 CIFC38 H63 B Cl N5 O2P -19.8905; 12.6054; 16.945
69.66; 89.159; 78.594
1938.4Hadlington, 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 CIFC66 H105 B Cl N6 Ni O6 Si2P -111.0148; 14.6131; 22.793
84.552; 83.601; 70.398
3428.1Hadlington, 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 CIFC27 H49 B Cl N5P 1 21/n 113.7173; 15.3059; 15.7157
90; 110.275; 90
3095.16Hadlington, 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 CIFC33 H59 B Cl N5 OP b c a15.6878; 12.3457; 36.8495
90; 90; 90
7136.9Hadlington, 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 CIFC51 H78 B Cl N6 Ni O2 Si2P 1 21/c 114.0633; 26.4632; 18.1718
90; 100.801; 90
6643Hadlington, 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 CIFC15 H12 F6 N O PP 1 21 110.17707; 8.43885; 18.8541
90; 101.724; 90
1585.46Sun, 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 CIFC65 H60 Cl6 O4 Rh2P 21 21 219.524; 17.1108; 36.4272
90; 90; 90
5936.3Sun, 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 CIFC32 H72 B20 Cl2 Cu2 O8 P4 Ru2P 1 21/n 110.4786; 16.101; 16.7081
90; 92.821; 90
2815.5Eleazer, 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 CIFC18 H39 Ag B10 N2 O7 P2 RuP 1 n 110.6009; 13.8331; 11.0738
90; 103.867; 90
1576.57Eleazer, 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 CIFC32 H72 Au2 B20 Cl2 O8 P4 Ru2P 1 21/c 112.421; 12.596; 19.0782
90; 101.457; 90
2925.4Eleazer, 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 CIFC60 H36 Fe N14 S2P -17.945; 8.8188; 17.5482
77.665; 82.466; 81.092
1180.51Wang, 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 CIFC60 H36 Fe N14 S2P -18.002; 9.1057; 17.7358
76.787; 82.257; 80.099
1233.2Wang, 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 CIFC20 H36 B2 Co F8 N6 O2P 1 2/n 18.3869; 7.9947; 19.4819
90; 90.1405; 90
1306.27Khosrowabadi 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 CIFC22 H37 B2 Co F8 N7 OC 1 2/c 128.1807; 13.2001; 20.3454
90; 129.871; 90
5808.5Khosrowabadi 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 CIFC20 H28 B2 Co F8 N6P 21 21 219.8793; 14.9748; 17.3244
90; 90; 90
2563Khosrowabadi 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 CIFC24 H38 B2 Co F8 N8C 1 2/c 130.4582; 20.3058; 17.0511
90; 120.178; 90
9116.5Khosrowabadi 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 CIFC52 H54 Ba2 F12 Fe2 N6 O24 S4P -110.8491; 11.7518; 14.5176
75.9118; 86.5298; 71.8096
1705.3Chantarojsiri, 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 CIFC46 H48 F6 Fe2 K2 N4 O19 S2C 1 2/c 132.941; 8.2524; 21.7664
90; 108.302; 90
5617.7Chantarojsiri, 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 CIFC26 H27 Ba Cl F6 Fe N3 O12 S2P -19.7023; 12.7853; 15.6368
106.971; 104.413; 98.178
1747.82Chantarojsiri, 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 CIFC23 H24 Cl F3 Fe K N2 O9 SP 1 21/n 111.253; 17.652; 13.5982
90; 90.075; 90
2701.1Chantarojsiri, 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 CIFC26 H27 Ba F6 Fe N3 O12.5 S2P b c m9.5075; 27.3543; 28.8412
90; 90; 90
7500.8Chantarojsiri, 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
1548897 CIFC16 H23 Cl Co F6 N4 O6 S2P 1 21/n 18.8511; 24.5258; 11.1501
90; 97.066; 90
2402.1Call, 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 CIFC19 H28 Co F6 N4 O8 S2C 1 c 112.8115; 24.0973; 8.7902
90; 96.927; 90
2693.9Call, 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 CIFC21 H29 Co F6 N7 O6 S2P 1 21/n 114.2091; 13.4658; 15.184
90; 93.295; 90
2900.46Call, 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 CIFC16 H24 Co F6 N4 O6 S2P b c a9.312; 16.956; 29.498
90; 90; 90
4657.6Call, 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 CIFC18 H29 Co F6 N5 O6 S2P 1 21/n 18.802; 24.936; 12.694
90; 94.038; 90
2779.2Call, 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 CIFC19 H30 Co F6 N4 O7 S2P 1 21/c 111.9921; 15.4423; 15.8756
90; 108.403; 90
2789.6Call, 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 CIFC27 H32 B2 N Na O5P b c m14.245; 17.905; 11.3809
90; 90; 90
2902.8Zhang, Li; Jiao, Lei
Super electron donors derived from diboron.
Chemical science, 2018, 9, 2711-2722
1548905 CIFC32 H38 B K N2 O4P 1 21 112.3892; 40.276; 12.9956
90; 90.798; 90
6484Zhang, Li; Jiao, Lei
Super electron donors derived from diboron.
Chemical science, 2018, 9, 2711-2722
1548906 CIFC52 H57 N O2 P2 S2 TiP 1 21/c 114.314; 12.233; 27.034
90; 102.751; 90
4617Kurogi, 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 CIFC56 H65 N7 P2 TiP 1 21/n 111.835; 19.146; 22.47
90; 102.101; 90
4978.4Kurogi, 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 CIFC20 H28 Cl3 N4 O4 RuP 1 21/c 111.0085; 13.2457; 15.8552
90; 92.636; 90
2309.5Tse, 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 CIFC22 H29 Cl3 N5 O4 RuP 21 21 218.6233; 12.5838; 23.552
90; 90; 90
2555.7Tse, 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 CIFC22 H32 Cl3 N4 O4 RuP 1 2 110.505; 10.579; 11.649
90; 101.09; 90
1270.4Tse, 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 CIFC32 H38 Cl2 N6 O8 RuP 1 21 18.1503; 16.4241; 12.805
90; 99.016; 90
1692.9Tse, 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 CIFC31.65 H36.48 Cl2 N6.83 O8 RuP -19.912; 17.5103; 21.2883
81.245; 80.941; 83.022
3588.2Tse, 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

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