Crystallography Open Database

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1573951 CIFC43 H51 Cr F9 I4 N11 O10 S3P 1 21/n 111.8195; 22.8812; 22.7016
90; 100.664; 90		6033.5Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón
Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.
Chemical science, 2025, 16, 5205-5213
1573953 CIFC41 H26 N4 OP -110.327; 11.0712; 13.0992
93.047; 92.234; 102.161		1460.1Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng
Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.
Chemical science, 2025, 16, 5252-5259
1573954 CIFC41 H26 N4 OP 1 21/n 15.505; 19.8183; 27.3727
90; 95.443; 90		2972.89Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng
Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.
Chemical science, 2025, 16, 5252-5259
1573955 CIFC32 H21 N3 OC 1 2/c 153.653; 9.11; 11.0235
90; 95.524; 90		5363Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng
Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.
Chemical science, 2025, 16, 5252-5259
1573956 CIFC16 H18 F4 I4 N8 PbP n m a12.9388; 30.291; 6.6444
90; 90; 90		2604.1Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573957 CIFC16 H18 F4 I4 N8 PbP n m a12.8444; 29.723; 6.5815
90; 90; 90		2512.6Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573958 CIFC16 H18 F4 I4 N8 PbP n m a12.4841; 27.931; 6.2972
90; 90; 90		2195.8Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573959 CIFC16 H18 F4 I4 N8 PbP n m a12.5017; 27.526; 6.2872
90; 90; 90		2163.6Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573960 CIFC16 H18 F4 I4 N8 PbP n m a12.6989; 28.912; 6.47
90; 90; 90		2375.5Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573961 CIFC16 H18 F4 I4 N8 PbP n m a12.5029; 27.709; 6.2997
90; 90; 90		2182.5Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573962 CIFC16 H18 F4 I4 N8 PbP n m a12.699; 28.928; 6.4727
90; 90; 90		2377.8Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573963 CIFC16 H18 F4 I4 N8 PbP n m a12.9028; 30.077; 6.6218
90; 90; 90		2569.8Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573964 CIFC16 H18 F4 I4 N8 PbP n m a12.5704; 28.337; 6.3725
90; 90; 90		2269.9Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573965 CIFC16 H18 F4 I4 N8 PbP n m a12.5155; 28.112; 6.3307
90; 90; 90		2227.37Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573966 CIFC16 H18 F4 I4 N8 PbP n m a12.6346; 28.617; 6.4221
90; 90; 90		2322Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573967 CIFC16 H18 F4 I4 N8 PbP n m a12.7582; 29.234; 6.5183
90; 90; 90		2431.2Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.
Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.
Chemical science, 2025, 16, 5662-5675
1573968 CIFC15 H12 N2P 1 21/c 15.5513; 9.0805; 22.6176
90; 93.832; 90		1137.57Shaydullin, Ruslan R.; Galushko, Alexey S.; Ilyushenkova, Valentina V.; Vlasova, Yulia S.; Ananikov, Valentine P.
Are activation barriers of 50-70 kcal mol<sup>-1</sup> accessible for transformations in organic synthesis in solution?
Chemical science, 2025, 16, 5289-5298
1573969 CIFC123 H94 B2 Cl6 N6 ZnC 1 2/c 127.5951; 13.4831; 29.7605
90; 114.537; 90		10073Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573970 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.51; 13.52; 30.45
90; 113.67; 90		10373Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573971 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.79; 13.68; 30.56
90; 113.4; 90		10662Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573972 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.31; 13.37; 30.17
90; 114.31; 90		10039Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573973 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.71; 13.64; 30.55
90; 113.46; 90		10592Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573974 CIFC133 H118 B2 Cl2 Co N6 O2C 1 2/c 127.429; 13.479; 29.817
90; 114.3; 90		10047Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573975 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.35; 13.4; 30.24
90; 114.19; 90		10110Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573976 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.38; 13.44; 30.33
90; 113.99; 90		10197Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573977 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.44; 13.47; 30.39
90; 113.83; 90		10275Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573978 CIFC132 H116 B2 Fe N6 O2C 1 2/c 127.64; 13.59; 30.52
90; 113.51; 90		10513Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573979 CIFC129 H109 B2 Mn N6 O1.5P -117.0314; 17.0463; 21.0901
80.916; 69.604; 60.143		4976.4Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette
Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.
Chemical science, 2025, 16, 5857-5871
1573980 CIFC40 H29 N O2P 21 21 217.7089; 24.161; 30.34
90; 90; 90		5650.97Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao
3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.
Chemical science, 2025, 16, 5299-5309
1573981 CIFC33 H23 Cl2 N O2P 1 21/c 112.8697; 26.1356; 7.9805
90; 107.143; 90		2565.04Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao
3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.
Chemical science, 2025, 16, 5299-5309
1573982 CIFC44 H29 N O2P 1 21/c 115.739; 16.068; 13.9254
90; 107.433; 90		3359.9Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao
3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.
Chemical science, 2025, 16, 5299-5309
1573985 CIFC12 H33 B11 N2 O2P n m a10.0719; 10.9585; 18.5142
90; 90; 90		2043.47Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran
Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.
Chemical science, 2025, 16, 5942-5947
1573986 CIFC24 H55 B11 N2 O7P -110.4232; 11.4832; 14.7581
93.391; 94.642; 91.388		1756.8Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran
Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.
Chemical science, 2025, 16, 5942-5947
1573987 CIFC21 H53 B11 Cl6 N2 O2P 1 21/c 123.2378; 9.4437; 17.9211
90; 109.429; 90		3708.8Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran
Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.
Chemical science, 2025, 16, 5942-5947
1573988 CIFC21 H54 B11 N3 O2P 1 21/c 113.1967; 22.4636; 20.8837
90; 92.836; 90		6183.3Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran
Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.
Chemical science, 2025, 16, 5942-5947
1573989 CIFC18 H15 Br Fe O2P 17.613; 8.5829; 12.8193
80.36; 73.628; 82.082		788.68Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin
Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.
Chemical science, 2025, 16, 5880-5886
1573990 CIFC10 H17 N2 O4 Re S2P 1 21/c 17.79663; 10.5671; 18.0745
90; 101.425; 90		1459.61Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas
Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a "chelate-then-click" approach.
Chemical science, 2025, 16, 6089-6098
1573991 CIFC8 H13 N2 O4 Re S2F d d 227.8226; 20.249; 8.86174
90; 90; 90		4992.53Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas
Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a "chelate-then-click" approach.
Chemical science, 2025, 16, 6089-6098
1573992 CIFC42 H42 Co F3 N2 P4P 1 21/c 111.0941; 22.838; 15.192
90; 93.182; 90		3843.2Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.
Chemical science, 2025, 16, 5717-5725
1573993 CIFC41.5 H37 Cl5 Co F3 I2 N2 P3P -112.5715; 13.3397; 15.6881
87.496; 73.663; 62.081		2218.77Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.
Chemical science, 2025, 16, 5717-5725
1573994 CIFC55 H57 Co F3 N2 O2 P3P c a 2124.0754; 12.3634; 34.026
90; 90; 90		10128Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.
Chemical science, 2025, 16, 5717-5725
1573995 CIFC23 H18 N2 O3 SP 1 21/c 111.0055; 12.1682; 14.8532
90; 104.525; 90		1925.52Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying
Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.
Chemical science, 2025, 16, 5735-5744
1573996 CIFC23 H20 N2 O3 SP 21 21 218.843; 12.33; 18.0497
90; 90; 90		1968.03Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying
Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.
Chemical science, 2025, 16, 5735-5744
1573997 CIFC23 H18 N2 O3 SP 1 21 18.3879; 12.8676; 9.7824
90; 111.619; 90		981.56Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying
Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.
Chemical science, 2025, 16, 5735-5744
1573998 CIFC23 H18 N2 O3 SP 1 21 18.3907; 12.8791; 9.7624
90; 111.393; 90		982.28Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying
Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.
Chemical science, 2025, 16, 5735-5744
1573999 CIFC10 H15.5 Ag2 F3 N O3.25 SP n -3 :220.9199; 20.9199; 20.9199
90; 90; 90		9155.4Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu
Linker driven site-specific catalysis in atomically precise silver cluster assemblies.
Chemical science, 2025, 16, 5726-5734
1574000 CIFC45 H58 Ag6 F9 N4 O7 S3C 1 2/c 125.337; 24.666; 19.661
90; 109.96; 90		11549Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu
Linker driven site-specific catalysis in atomically precise silver cluster assemblies.
Chemical science, 2025, 16, 5726-5734
1574001 CIFC42 H52 Ag6 F9 N7 O7 S3C 1 2/c 126.994; 14.021; 29.259
90; 92.57; 90		11063Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu
Linker driven site-specific catalysis in atomically precise silver cluster assemblies.
Chemical science, 2025, 16, 5726-5734
1574002 CIFC39 H45 Ag6 F9 N3 O6 S3P n n m22.946; 27.85; 18.982
90; 90; 90		12130Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu
Linker driven site-specific catalysis in atomically precise silver cluster assemblies.
Chemical science, 2025, 16, 5726-5734
1574010 CIFC30 H42 B N OP 1 21/c 19.1568; 11.115; 26.1678
90; 95.763; 90		2649.84Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574011 CIFC33 H50 B N O SeP n a 2114.2386; 14.0447; 15.3868
90; 90; 90		3077Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574012 CIFC32 H51 B N PP -19.6984; 11.0467; 14.5864
96.819; 105.427; 92.382		1491.38Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574013 CIFC45 H74 B Li2 N O4 SeP -110.7762; 16.8779; 24.5726
81.439; 86.226; 88.794		4409.59Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574014 CIFC58 H84 B2 N2 Te2P -110.1565; 10.3469; 14.2245
69.78; 80.935; 81.899		1379.14Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574015 CIFC64 H88 B2 F7.79 N2 P0.96 Te2P -112.7992; 16.2783; 17.3761
106.637; 94.029; 96.39		3427.31Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574016 CIFC29 H42 B N SP 1 21/c 118.006; 8.4637; 17.399
90; 93.337; 90		2647.07Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574017 CIFC74 H116 B2 Li2 N2 O4 S2P -110.5609; 13.0367; 14.8835
82.383; 79.577; 68.461		1869.7Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574018 CIFC70 H108 B2 Li4 N2 O3 S2P 1 21 110.6514; 21.0348; 16.8392
90; 106.025; 90		3626.22Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574019 CIFC45 H74 B Li2 N O4 TeP -110.7784; 16.9121; 24.8131
82.133; 86.65; 88.61		4472.24Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Chemical science, 2025, 16, 5632-5639
1574024 CIFC18 H18 B N3P 1 21/n 113.9391; 11.2303; 20.3661
90; 104.938; 90		3080.4Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan
Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.
Chemical science, 2025, 16, 6023-6034
1574025 CIFC16 H12 B Cl N2P 1 21 14.7299; 10.3015; 13.5889
90; 96.628; 90		657.69Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan
Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.
Chemical science, 2025, 16, 6023-6034
1574026 CIFC16 H12 B F N2I -422.7941; 22.7941; 5.0803
90; 90; 90		2639.6Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan
Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.
Chemical science, 2025, 16, 6023-6034
1574027 CIFC16 H12 B Br N2P 1 21/n 112.963; 6.412; 16.767
90; 92.356; 90		1392.5Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan
Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.
Chemical science, 2025, 16, 6023-6034
1574028 CIFC17 H12 B N3P 1 21/n 18.2259; 26.151; 19.2586
90; 95.282; 90		4125.2Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan
Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.
Chemical science, 2025, 16, 6023-6034
1574039 CIFC20 H17 Cl N2 O3P 15.872; 7.735; 20.137
98.57; 97.62; 91.31		895.6Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
Chemical science, 2025, 16, 5701-5706
1574040 CIFC20 H17 Cl N2 O3P c a 217.6916; 5.838; 40.645
90; 90; 90		1825.11Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
Chemical science, 2025, 16, 5701-5706
1574041 CIFC21 H19 Cl N2 O3C 1 c 120.171; 9.765; 39.079
90; 99.308; 90		7596Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
Chemical science, 2025, 16, 5701-5706
1574042 CIFC18 H22 N O PP 21 21 219.9528; 10.6897; 16.8353
90; 90; 90		1791.15Zhang, Jialiang; Guo, Jiajia; Xu, Ruhui; Zheng, Di; Lian, Kai; Zhang, Zhaoxia; Cao, Shanshan; Jiang, Zhiyong
Asymmetric copper-catalyzed hydrophosphinylation of ethynylazaarenes to access <i>P</i>-chiral 2-azaaryl-ethylphosphine oxides.
Chemical science, 2025, 16, 5957-5966
1574043 CIFC31 H48 O4P 21 21 217.5983; 14.6061; 25.287
90; 90; 90		2806.39Dethe, Dattatraya H.; Siddiqui, Salman A.; Singha, Chirantan
Biomimetic syntheses of kadcoccitane H and kadcotrione C methyl ester.
Chemical science, 2025, 16, 6099-6103
1574044 CIFC9.82 H5.45 Ce0.36 O2.18P 1 21/c 112.1955; 27.6141; 7.7042
90; 93.382; 90		2590Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574045 CIFC27 H15.8 La O6.4P 1 21/c 112.1008; 27.7464; 7.8237
90; 93.673; 90		2621.44Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574046 CIFC36 H37 Dy N3 O9.5P 1 21 18.0212; 26.89; 16.3817
90; 92.297; 90		3530.5Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574047 CIFC35.26 H34.26 La N2.75 O8.75P 1 21/c 116.7495; 26.5927; 8.4965
90; 95.014; 90		3769.98Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574048 CIFC33.3 H29.7 La N2.1 O8.1P 1 21/c 115.0013; 27.7449; 16.1774
90; 97.287; 90		6678.8Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574049 CIFC31.5 H27.5 N1.5 O8.5 PrP 1 21/c 115.0438; 28.0476; 16.0831
90; 97.259; 90		6731.8Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574050 CIFC32.55 H27.95 Ce N1.85 O7.85P 1 21/c 115.0927; 27.9263; 16.165
90; 97.249; 90		6758.8Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574051 CIFC28.32 H21.49 La N0.44 O8.15P 1 21/n 115.4232; 20.5544; 32.285
90; 94.546; 90		10202.6Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574052 CIFC28.5 H19 Ce N0.5 O6.75P 1 21/n 115.3286; 20.5857; 32.2184
90; 94.423; 90		10136.2Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo
Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.
Chemical science, 2025, 16, 2879-2885
1574053 CIFC30 H27 N O2P 1 21 18.6278; 12.3083; 10.9519
90; 95.711; 90		1157.25He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Chemical science, 2025, 16, 3124-3129
1574054 CIFC29 H28 N2 O4 SP -17.4687; 12.636; 14.057
86.841; 76.742; 75.308		1249He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Chemical science, 2025, 16, 3124-3129
1574055 CIFC28 H20 F3 N O2P -19.9196; 9.9973; 11.8824
91.791; 104.104; 102.384		1111.91He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Chemical science, 2025, 16, 3124-3129
1574056 CIFC36 H32 N2 O3 SP 43 21 212.4257; 12.4257; 42.988
90; 90; 90		6637.3He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Chemical science, 2025, 16, 3124-3129
1574057 CIFC43 H34 N2 O4C 1 2/c 121.731; 9.151; 34.748
90; 107.204; 90		6601He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
Chemical science, 2025, 16, 3124-3129
1574060 CIFC14 H17 O7 PP 16.35385; 7.76034; 16.0686
92.9757; 90.6187; 101.846		774.2Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones
Chemical Science, 2025, 16, 6828-6836
1574061 CIFC16 H17 O5 PP 21 21 216.279; 8.1645; 30.231
90; 90; 90		1549.79Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones
Chemical Science, 2025, 16, 6828-6836
1574062 CIFC19 H17 O5 P SP 1 21 110.3633; 7.8457; 12.019
90; 110.666; 90		914.35Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones
Chemical Science, 2025, 16, 6828-6836
1574063 CIFC84 H69 Cs4 O3P -112.3931; 13.0388; 22.218
75.614; 85.704; 77.205		3390.55Shen, Yongbing; Cui, Mengxing; Zhang, Haitao; Guo, Hanjie; Nakamura, Jumpei G.; Embs, Jan Peter; Zhao, Jinkui; Yamashita, Masahiro; Fu, Zhendong
Signatures of the quantum spin liquid state in triangular-based zig-zag polyaromatic hydrocarbon radicals
Chemical Science, 2025, 16, 6345-6354
1574064 CIFC12 H18 Cd2 Cl5 N O2P 1 21/c 17.5573; 15.3477; 16.6274
90; 94.566; 90		1922.4Zhang, Ke; Qi, Zhikai; Zhang, Nan; Zhao, Xingxing; Fan, Yanli; Sun, Long; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming
Efficient energy transfer from organic triplet states to Mn<sup>2+</sup> dopants for dynamic tunable multicolor afterglow in 1D hybrid cadmium chloride.
Chemical science, 2025, 16, 6104-6113
1574073 CIFC32 H56 B10 Ga I2 N4 Si2C m c m23.2436; 18.9817; 13.9956
90; 90; 90		6174.9Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574074 CIFC32 H56 Al2 B10 I3 N4 Si2P -112.2257; 13.2295; 17.0355
109.939; 102.833; 100.765		2419.65Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574075 CIFC46 H72 Al B10 I2 N4 Si2P -114.6482; 14.829; 18.4781
105.669; 106.625; 100.731		3548.9Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574076 CIFC48 H96 Al B10 I2 K N4 O4 Si2P 1 21/n 114.7194; 30.6034; 15.2868
90; 94.863; 90		6861.4Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574077 CIFC32 H56 Al2 B10 I6 N4 Si2P 1 21/n 114.4094; 17.2943; 23.7145
90; 92.257; 90		5905.1Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574078 CIFC58 H100 Al B10 K N4 O2 Si2P 1 21/c 121.7751; 15.1015; 24.8744
90; 109.723; 90		7699.8Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias
Redox non-innocent bis-silylene aluminium complexes with a carborane backbone
Chemical Science, 2025, 16, 6383-6391
1574079 CIFC26 H18 N2 Pt SP -111.2341; 13.2688; 17.1255
67.622; 89.72; 65.448		2111.14Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Chemical science, 2025, 16, 5948-5956
1574080 CIFC28 H22 N2 Pt SP 1 21/n 110.8444; 11.2925; 18.702
90; 96.706; 90		2274.6Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Chemical science, 2025, 16, 5948-5956
1574081 CIFC26 H18 N2 O Pt SP -17.9676; 11.994; 12.5963
117.424; 97.964; 90.392		1054.74Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Chemical science, 2025, 16, 5948-5956
1574082 CIFC30 H26 Cl2 N2 O2 Pt SP 1 21/c 110.5828; 26.522; 9.987
90; 99.343; 90		2765.9Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Chemical science, 2025, 16, 5948-5956
1574083 CIFC28 H22 N2 O Pt SP -19.2869; 12.7332; 21.2615
89.275; 82.262; 71.515		2361.6Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
Chemical science, 2025, 16, 5948-5956
1574084 CIFC12 H16 I2 N4 O SmP 1 21/m 18.94497; 7.9358; 12.43051
90; 93.4456; 90		880.79Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.
Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism
Chemical Science, 2025, 16, 6879-6885

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