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:\ρightarrow 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
1548915 CIFC78 H58 Mn3.5 N4 O24 S10P -114.38; 15.3958; 21.7726
74.25; 71.751; 82.351
4399.85Yamamoto, 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 CIFC100 H17.5 Mn3.5 N10 O24P -114.639; 16.743; 20.551
100.913; 106.78; 100.119
4591.03Yamamoto, 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 CIFC32 H68 N8 ThP -110.383; 11.3585; 17.4827
89.777; 89.404; 63.76
1849.26Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548918 CIFC35 H69 N9 Si ThP 1 21/c 116.9023; 11.4723; 21.7432
90; 95.127; 90
4199.3Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548919 CIFC30 H62 N6 O2 Si ThP -19.4981; 11.95; 16.888
90.32; 99.06; 102.29
1848Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548920 CIFC29 H62 N6 O Si ThP -112.986; 16.992; 17.337
103.843; 97.592; 93.871
3662.3Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548921 CIFC13.75 H25 N3 Th0.5P -111.5082; 12.3194; 12.8462
61.8432; 79.157; 86.2752
1576.47Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548922 CIFC37 H71 N7 Si ThP 1 21/n 110.9839; 20.99; 18.246
90; 93.46; 90
4199Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548923 CIFC34 H67 N7 Si ThP 1 21/n 112.6373; 17.8743; 17.1544
90; 90.033; 90
3874.9Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548924 CIFC56 H87 B N6 O2 ThP 1 21/c 118.6971; 15.8036; 18.9111
90; 103.688; 90
5429.2Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548925 CIFC32 H67 B N6 ThP 1 21/n 112.1573; 18.4711; 16.3766
90; 90.215; 90
3677.5Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548926 CIFC33 H58 N6 ThP 1 21/c 119.0249; 10.3942; 19.133
90; 110.105; 90
3553Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548927 CIFC33 H63 N6 P ThP 1 21/n 122.5782; 13.2908; 25.4828
90; 100.332; 90
7522.9Settineri, Nicholas S.; Arnold, John
Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Chemical science, 2018, 9, 2831-2841
1548939 CIFC22 H23 N O2 SiP 1 21 110.4794; 7.0464; 13.4791
90; 100.094; 90
979.92Rodriguez, 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 CIFC22 H23 N O2 SiP 21 21 219.4164; 11.6775; 17.207
90; 90; 90
1892.08Rodriguez, 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 CIFC69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 RhP -112.9788; 15.9249; 18.4205
77.6077; 73.186; 88.345
3557.34Carreras, 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 CIFC70.5 H46 B F24 I N O P2 RhP -112.9235; 15.961; 18.3296
79.049; 71.52; 88.475
3518.3Carreras, 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 CIFC18 H22 N2 O3 SP 1 21/c 117.417; 7.3299; 13.5997
90; 95.37; 90
1728.58Giri, 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 CIFC28 H26 N2 O3 SP 1 21/c 113.9904; 8.4064; 21.36
90; 104.491; 90
2432.21Giri, 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 CIFC18 H22 N2 O3 SP 1 21/c 112.3308; 16.1714; 8.8646
90; 94.241; 90
1762.8Giri, 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 CIFC21 H26 N2 O3 SP 1 21/n 19.0836; 21.4854; 9.9912
90; 92.112; 90
1948.61Giri, 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 CIFC24 H26 N2 O3 SP 1 21/c 19.8261; 13.6201; 16.2063
90; 96.868; 90
2153.37Giri, 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 CIFC16 H18 N2 O3 SC 1 2/c 110.99; 9.6096; 29.66
90; 94.047; 90
3124.6Giri, 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 CIFC12 H12 F4 OP 21 21 216.0422; 11.778; 15.448
90; 90; 90
1099.4Rodil, 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 CIFC12 H14 F2 OP 21 21 215.25889; 9.75241; 20.4698
90; 90; 90
1049.83Rodil, 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 CIFC12 H14 F2 OP 1 21/a 113.5173; 5.57303; 27.4909
90; 90.469; 90
2070.88Rodil, 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 CIFC12 H14 F2 OP 1 21/c 110.536; 19.983; 10.272
90; 107.972; 90
2057.2Rodil, 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 CIFC12 H15 F OP 21 21 215.33024; 9.6528; 20.0332
90; 90; 90
1030.74Rodil, 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 CIFC31 H34 O4 SP 6121.247; 21.247; 11.2694
90; 90; 120
4405.8Zhao, 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
1548969 CIFC31 H27 N3 O3P -17.6914; 8.8535; 18.0798
91.235; 97.803; 92.431
1218.2Xiong, 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 CIFC308 H374 N23 O12 P3P -121.138; 21.616; 21.948
118.123; 106.659; 99.169
7942Fatila, 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 CIFC365.84 H508.52 Cl14.16 N26 O29.28 P7P -119.692; 22.3708; 25.201
97.908; 108.437; 113.456
9208.2Fatila, 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 CIFC26 H15 N6 O11 Zn2I 427.458; 27.458; 18.225
90; 90; 90
13741Zhao, 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 CIFC58.5 H43.5 F6 N6.5 O2.5 ZnP 1 21/n 110.7604; 51.619; 18.6745
90; 98.394; 90
10261.5Nichols, 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 CIFC9.4 H4 D5.61 O5 VI 41 2 215.1723; 15.1723; 12.0747
90; 90; 90
2779.58Lu, 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 CIFC10.63 H4 D8.95 O5 VI 41 2 215.1668; 15.1668; 12.0716
90; 90; 90
2776.85Lu, 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 CIFC9.01 H4 D4.06 O5 VI 41 2 215.16316; 15.16316; 12.0746
90; 90; 90
2776.21Lu, 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 CIFC10 H4 D2 O5 VI 41 2 215.1613; 15.1613; 12.0687
90; 90; 90
2774.17Lu, 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 CIFC10.14 H4 D4.28 O5 VI 41 2 215.1594; 15.1594; 12.071
90; 90; 90
2774.01Lu, 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 CIFC10.07 H4 D6.2 O5 VI 41 2 215.1661; 15.1661; 12.0725
90; 90; 90
2776.8Lu, 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 CIFC11.56 H4 D3.56 O5 VI 41 2 215.1457; 15.1457; 12.0519
90; 90; 90
2764.61Lu, 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 CIFC15 H10 B5 F30 K5P -110.9621; 12.9672; 13.9252
111.325; 99.442; 105.532
1699.54Phelan, 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 CIFC21 H15 F6 N2 O PC 1 2/c 16.861; 10.695; 23.818
90; 96.101; 90
1737.8Rosenberg, 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 CIFC22 H15 F6 O2 PP -18.4805; 8.5013; 14.7698
74.017; 89.013; 64.503
917.65Rosenberg, 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 CIFC23 H18 F6 N O PP -114.162; 15.264; 20.039
87.939; 85.555; 62.365
3826.1Rosenberg, 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 CIFC24 H21 F6 N2 PP c c n14.5591; 21.6499; 13.0273
90; 90; 90
4106.2Rosenberg, 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 CIFC35 H35 Cl2 F3 N8 Ni O3 SP -110.0222; 12.1506; 16.0254
69.063; 75.075; 81.389
1757.6Grübel, 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 CIFC22 H35 NP 1 21/c 117.6983; 6.2954; 17.442
90; 102.677; 90
1896Grübel, 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 CIFC33 H33 N8 NiP 21 21 2110.1802; 20.4136; 26.689
90; 90; 90
5546.4Grübel, 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 CIFC16 H12 F3 N O4 SP -18.4561; 8.5762; 12.4229
110.047; 111.941; 90.1156
776.24Das, 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 CIFC25 H22 F3 N O3 SP b c a16.8152; 15.0512; 17.5637
90; 90; 90
4445.18Das, 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 CIFC25 H22 F3 N O4 SP 1 21/c 116.8716; 7.8975; 16.7075
90; 90.3044; 90
2226.13Das, 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 CIFC23 H20 F3 N O4 SP 1 21/n 114.6966; 9.1174; 17.3812
90; 116.062; 90
2092.17Das, 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
1549003 CIFC28 H44 Li2 N6P 1 21/n 19.746; 25.413; 11.319
90; 105.55; 90
2700.8Engelhardt, 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 CIFC20 H36 Li2 N6P 1 21/c 112.7937; 9.7101; 18.6728
90; 94.3121; 90
2313.12Engelhardt, 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 CIFC40 H68 Li2 N6P 1 21/c 113.864; 30.46; 9.851
90; 105.18; 90
4014.9Engelhardt, 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 CIFC27 H29 Cl F6 N2 P RhP 1 21/n 115.9555; 11.5878; 17.1391
90; 116.061; 90
2846.6Banerjee, 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 CIFC20 H23 Cl F6 N2 P RhP m n 2112.9507; 8.31; 10.5094
90; 90; 90
1131.02Banerjee, 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 CIFC31 H37 Cl F6 N2 O2 P RhP -18.51582; 13.5384; 14.2569
94.5969; 92.9146; 92.6758
1634.15Banerjee, 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 CIFC36 H35 Cl F6 N2 O P RhP -18.7508; 14.4955; 14.5101
84.91; 74.415; 82.382
1754.53Banerjee, 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 CIFC25 H28 F12 N3 O0.5 P2 RhP -19.84864; 10.1712; 16.1627
101.363; 90.9323; 109.801
1487.41Banerjee, 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 CIFC36 H39 Cl F6 N2 O P RhP 1 21/n 18.0233; 28.1842; 16.1096
90; 94.393; 90
3632.2Banerjee, 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 CIFC34 H35 Cl F6 N2 O P RhP -18.40215; 12.9603; 15.392
80; 86.442; 86.175
1644.79Banerjee, 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 CIFC28 H29 Cl F6 N2 O P RhP -18.20707; 10.08952; 17.2032
82.3397; 81.4575; 84.0175
1390.95Banerjee, 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 CIFC27 H20 N2 O3 SP 1 21/c 112.6727; 15.398; 11.9061
90; 110.633; 90
2174.3Roy, 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 CIFC15 H11 N O3 SP -17.089; 7.256; 13.569
85.46; 77.9; 70.37
642.8Roy, 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 CIFC27 H18 N2 O3 SC 1 2 125.719; 7.5368; 11.759
90; 116.39; 90
2041.8Roy, 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 CIFC17 H16 N2 O3 SP 1 21/n 18.172; 9.666; 20.305
90; 99.512; 90
1581.9Roy, 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 CIFC86 H162 Co Cr7 F8 N O33I 419.9066; 19.9066; 16.1991
90; 90; 90
6419.3Garlatti, 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 CIFC3 H6 N3 O10 PP 1 21/c 112.37; 8.1257; 9.943
90; 97.638; 90
990.6Manner, 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 CIFC4 H7 N3 O9P -17.6451; 7.8238; 8.9723
100.557; 96.753; 114.76
467.59Manner, 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 CIFC17 H19 B F4 N2 OP 1 21/c 119.5805; 9.7595; 8.9644
90; 103.158; 90
1668.08Nievergelt, 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 CIFC31 H35 B N2 OP 21 21 219.49835; 11.89113; 22.8675
90; 90; 90
2582.8Nievergelt, 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 CIFC10 H16 I N OP 1 21 15.40542; 6.94898; 16.0701
90; 95.864; 90
600.47Nievergelt, 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 CIFC40 H66 Cl2 N10 O16I 1 2/a 115.1489; 13.2904; 24.594
90; 97.293; 90
4911.6Nievergelt, 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 CIFC17 H19 Cl N2 OP 1 21/c 118.7661; 8.8339; 9.6084
90; 100.318; 90
1567.1Nievergelt, 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 CIFC19 H26 Cl N5 O3P 1 21/c 17.10113; 13.625; 20.6821
90; 91.5054; 90
2000.36Nievergelt, 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 CIFC22 H32 N2 O6C 1 2 113.5545; 5.84781; 14.1657
90; 110.071; 90
1054.64Nievergelt, 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 CIFC14 H18 F18 K N3 P2 SP 1 21/c 124.3732; 10.4084; 9.9932
90; 93.1701; 90
2531.26Nievergelt, 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 CIFC34 H42 N4 O8 SP 1 21 18.6454; 9.463; 20.0392
90; 96.753; 90
1628.06Nievergelt, 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 CIFC17 H21 N2 O5 PP 1 21/c 120.7561; 9.5134; 8.5352
90; 96.5078; 90
1674.51Nievergelt, 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 CIFC14 H18 Br F6 N3 SP 1 21/c 110.9874; 14.2737; 23.2106
90; 90.2783; 90
3640.1Nievergelt, 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 CIFC38 H48.7 N4 O11.35P 1 21 18.81; 9.7133; 21.7147
90; 100.169; 90
1829.03Nievergelt, 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 CIFC18 H19 N3 O SP 1 21/c 119.8981; 8.0213; 10.8806
90; 100.435; 90
1707.92Nievergelt, 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 CIFC17 H19 I N2 OP 1 21/c 119.6674; 8.1224; 10.8447
90; 105.289; 90
1671.09Nievergelt, 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 CIFC10 H16 I N OP 21 21 217.32726; 18.9411; 25.6662
90; 90; 90
3562.12Nievergelt, 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 CIFC10 H16 Cl N OP 1 21 17.2565; 6.1232; 12.557
90; 102.256; 90
545.23Nievergelt, 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 CIFC11 H16 N2 O SP 21 21 216.09862; 7.52704; 27.3811
90; 90; 90
1256.92Nievergelt, 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 CIFC42 H46 N4 O16 Sb2C 1 2 122.3684; 8.4156; 15.6852
90; 130.585; 90
2242.36Nievergelt, 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 CIFC31 H35 B N2 OP 1 21/n 110.1433; 18.6189; 14.0467
90; 99.569; 90
2615.91Nievergelt, 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 CIFC10 H16 Br N OP 1 21 17.4467; 6.20961; 12.5863
90; 101.176; 90
570.97Nievergelt, 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 CIFC36 H38 N4 O8P 1 21 19.0081; 9.3218; 19.4957
90; 95.351; 90
1629.95Nievergelt, 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 CIFC19 H23 Cl I N5 OP 1 21/c 112.9279; 12.5457; 13.139
90; 109.843; 90
2004.48Nievergelt, 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 CIFC140.5 H113.5 Cl5.5 O1.5P -115.3025; 16.0955; 22.2445
94.998; 108.991; 92.221
5147.8Cruz, 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 CIFC116 H103 F3 O4 SP -114.3675; 17.3718; 18.9206
67.525; 86.143; 89.598
4352.9Cruz, 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
1549080 CIFC25 H15 N O2P 1 21/n 115.4892; 7.8471; 15.5804
90; 114.831; 90
1718.65Mu, 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 CIFC57 H83 B2 Li O4P c c n21.5605; 26.1802; 19.2608
90; 90; 90
10871.9Kaese, 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 CIFC56 H85 B2 Li O4P 1 21/n 110.7242; 21.4641; 24.027
90; 97.208; 90
5487Kaese, 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 CIFC44 H56 B2P -15.974; 14.639; 21.461
82.273; 89.91; 86.79
1856.8Kaese, 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 CIFC66 H98 B2 Li2 O7P 1 21/c 112.9451; 18.3459; 27.0962
90; 101.393; 90
6308.3Kaese, 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 CIFC53 H75 B2 Li O3P 1 21 114.775; 19.9973; 17.9098
90; 109.105; 90
5000.2Kaese, 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 CIFC61 H90 B2 Cl Li O8F d d 212.2698; 43.946; 21.961
90; 90; 90
11841.6Kaese, 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 CIFC63 H87 B2 Li O4P 1 21/c 119.497; 24.7864; 23.972
90; 92.463; 90
11574Kaese, 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 CIFC43 H54 B2P c a 2141.344; 14.272; 6.1349
90; 90; 90
3620Kaese, 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 CIFC70 H84 B2 OP -110.4041; 11.5484; 25.736
79.323; 85.313; 81.22
2998.51Kaese, 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
1549094 CIFC26 H32 O2 S2I 1 2/a 17.7604; 5.9132; 49.45
90; 95.879; 90
2257.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549095 CIFC26 H32 O2 S2I 1 2/a 17.856; 5.8413; 49.561
90; 95.46; 90
2264van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549096 CIFC26 H32 O2 S2I 1 2/a 18.0891; 5.7282; 49.849
90; 94.255; 90
2303.4van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549097 CIFC26 H32 O2 S2I 1 2/a 17.9306; 5.8288; 49.645
90; 95.171; 90
2285.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549098 CIFC26 H32 O2 S2I 1 2/a 17.9631; 5.8073; 49.723
90; 94.85; 90
2291.2van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549099 CIFC26 H32 O2 S2I 1 2/a 18.3546; 5.6236; 50.168
90; 93.146; 90
2353.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549100 CIFC26 H32 O2 S2I 1 2/a 18.0248; 5.7688; 49.827
90; 94.591; 90
2299.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549101 CIFC26 H32 O2 S2I 1 2/a 18.446; 5.58942; 50.2534
90; 92.829; 90
2369.48van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549102 CIFC26 H32 O2 S2I 1 2/a 17.8186; 5.8811; 49.458
90; 95.762; 90
2262.7van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549103 CIFC26 H32 O2 S2I 1 2/a 18.1615; 5.6918; 49.87
90; 93.819; 90
2311.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549104 CIFC26 H32 O2 S2I 1 2/a 18.2606; 5.6541; 49.944
90; 93.621; 90
2328van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549107 CIFC30 H60 Br2 F4 Ni2 P4P -111.059; 12.1681; 15.1847
75.96; 89.526; 89.997
1982.25Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549108 CIFC18 H30 F5 I Ni P2I 1 2 18.0074; 11.3665; 12.9665
90; 94.616; 90
1176.33Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549109 CIFC18 H30 F5 I Ni P2I 1 2 17.8675; 11.3291; 12.9347
90; 94.392; 90
1149.51Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549110 CIFC18 H30 F4 Ni P2P 43 21 28.13398; 8.13398; 31.6136
90; 90; 90
2091.61Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549111 CIFC18 H30 F4 I2 Ni P2C m c 2112.6196; 14.8011; 13.2994
90; 90; 90
2484.11Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549112 CIFC18 H30 F4 I2 Ni P2P b c a14.0519; 14.4485; 24.3473
90; 90; 90
4943.2Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549113 CIFC18 H30 F4 I2 Ni P2P 1 21/c 19.9032; 16.1922; 15.2884
90; 93.913; 90
2445.85Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549114 CIFC18 H30 F5 I Ni P2P 1 21 19.4116; 12.701; 9.727
90; 95.377; 90
1157.62Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549115 CIFC18 H30 F5 I Ni P2I 1 2 17.892; 11.3325; 12.9439
90; 94.434; 90
1154.19Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549116 CIFC18 H30 Cl F4 I Ni P2P 1 21/c 19.95341; 16.0611; 15.04577
90; 97.0034; 90
2387.31Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549117 CIFC18 H30 Br F4 I Ni P2P 1 21/c 19.95422; 16.0712; 15.0877
90; 95.7803; 90
2401.4Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549118 CIFC18 H30 F5 I Ni P2C 1 c 117.1652; 8.5185; 16.935
90; 96.803; 90
2458.8Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549119 CIFC18 H30 Cl F4 I Ni P2P 1 21 19.2736; 13.2118; 9.817
90; 95.22; 90
1197.8Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549120 CIFC26 H30 F4 I2 Ni P2P -17.8141; 12.9211; 14.7784
76.749; 79.7; 76.748
1401.12Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549121 CIFC18 H30 F4 I2 Ni P2P 1 21/c 112.19004; 28.0191; 14.2344
90; 91.6129; 90
4859.89Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.
Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.
Chemical science, 2018, 9, 3767-3781
1549122 CIFC69 H54 Fe N6 O4 P2P 1 21/c 117.9956; 14.2843; 23.6299
90; 111.37; 90
5656.57Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen
C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.
Chemical science, 2018, 9, 3992-4002
1549123 CIFC62 H34 F12 Fe N6 P2F d d 227.5449; 55.4159; 10.2412
90; 90; 90
15632Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1549124 CIFC66 H44 F12 N6 O P2 RuP -4 21 c16.392; 16.392; 21.9038
90; 90; 90
5885.5Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1549133 CIFC23 H23 Au F6 N O SbP 21 21 216.6287; 16.4246; 21.5858
90; 90; 90
2350.1Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier
Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.
Chemical science, 2018, 9, 3932-3940
1549134 CIFC24 H22 Au Cl4 NP -17.4651; 9.8244; 16.963
98.935; 91.454; 106.868
1172.83Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier
Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.
Chemical science, 2018, 9, 3932-3940
1549135 CIFC55 H62 N2 P2P 1 21/n 110.9502; 20.9614; 20.7528
90; 97.766; 90
4719.7Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549136 CIFC48 H52 P2P 1 21/c 18.3846; 21.347; 11.6195
90; 111.081; 90
1940.5Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549137 CIFC31 H37 N2 PP 1 21/c 18.304; 23.286; 13.9
90; 90.34; 90
2687.8Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549138 CIFC48 H52 O P2P b c a16.9466; 20.6986; 23.0289
90; 90; 90
8077.9Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549139 CIFC55 H64 N2 O P2P 1 21/n 116.228; 16.3739; 17.6769
90; 93.71; 90
4687.2Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.
Chemical science, 2018, 9, 4235-4243
1549140 CIFC65 H42 F6 N4 O11P -110.6269; 14.921; 17.4851
108.065; 102.085; 91.766
2563.72Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.
Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.
Chemical science, 2018, 9, 4052-4061
1549141 CIFC34 H37 B N2P 1 21/c 122.653; 8.3251; 15.2916
90; 107.682; 90
2747.6Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549142 CIFC32 H36 B N SP 1 21/c 17.925; 21.8524; 16.0075
90; 98.766; 90
2739.8Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549143 CIFC34 H39 B N2P -110.294; 11.896; 13.128
66.239; 88.621; 75.243
1417.2Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549144 CIFC34 H39 B N2P 1 21/n 18.41; 34.22; 10.14
90; 97.87; 90
2891Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549145 CIFC32 H36 B N SP 1 21/c 17.9779; 21.8456; 15.7662
90; 98.411; 90
2718.2Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549146 CIFC35 H40 B N OP 1 21/c 17.2959; 22.3592; 17.984
90; 92.626; 90
2930.7Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549147 CIFC39 H43 B N2P -18.1029; 11.3778; 18.5298
87.821; 85.222; 71.032
1609.84Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855
1549148 CIFC32 H34 B N SP n a 2132.54; 9.129; 9.286
90; 90; 90
2758Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning
Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.
Chemical science, 2018, 9, 3844-3855

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