Crystallography Open Database

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1549294 CIFC29 H24P 1 21/c 17.396; 30.1314; 18.311
90; 91.801; 90
4078.6Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong
Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.
Chemical science, 2018, 9, 4662-4670
1549295 CIFC28 H22P -111.9827; 13.0612; 14.0684
117.413; 92.608; 90.268
1951.7Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong
Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.
Chemical science, 2018, 9, 4662-4670
1549296 CIFC36 H72 Al Cl Si3 ThP 1 21/n 114.6013; 16.3421; 18.0401
90; 93.323; 90
4297.4Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Chemical science, 2018, 9, 4317-4324
1549297 CIFC36 H72 Al Si3 UP -110.4534; 12.854; 17.8476
72.09; 79.893; 66.898
2094.82Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Chemical science, 2018, 9, 4317-4324
1549298 CIFC36 H73 Al Si3 ThP 1 21/c 118.541; 12.528; 18.971
90; 105.644; 90
4243Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Chemical science, 2018, 9, 4317-4324
1549299 CIFC36 H72 Al Si3 ThP 1 21/m 112.933; 12.816; 13.179
90; 94.46; 90
2178Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Chemical science, 2018, 9, 4317-4324
1549300 CIFC62 H88 I2 N4 O2P 1 21/n 114.01776; 11.68842; 18.61137
90; 97.6225; 90
3022.44Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.
Kekulé diradicaloids derived from a classical N-heterocyclic carbene.
Chemical science, 2018, 9, 4970-4976
1549301 CIFC60 H80 N4P -110.4185; 10.5244; 25.1966
97.968; 90.283; 110.092
2565.5Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.
Kekulé diradicaloids derived from a classical N-heterocyclic carbene.
Chemical science, 2018, 9, 4970-4976
1549302 CIFC70 H92 N4 OP -19.397; 11.5574; 15.1108
70.87; 84.424; 76.36
1506.4Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.
Kekulé diradicaloids derived from a classical N-heterocyclic carbene.
Chemical science, 2018, 9, 4970-4976
1549303 CIFC69.21 H96.87 Br2 N4 O3.22P 1 21/n 19.3343; 17.7848; 20.1423
90; 95.674; 90
3327.41Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.
Kekulé diradicaloids derived from a classical N-heterocyclic carbene.
Chemical science, 2018, 9, 4970-4976
1549304 CIFC28 H18 N2 OP 1 21/c 17.463; 23.83; 11.556
90; 101.301; 90
2015.3Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong
Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.
Chemical science, 2018, 9, 5165-5171
1549305 CIFC28 H18 N2 OP -17.1516; 8.5555; 16.6112
100.052; 95.016; 90.498
996.63Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong
Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.
Chemical science, 2018, 9, 5165-5171
1549306 CIFC366 H508 Cd24 N24 O178 Tb8P 4/n :230.0936; 30.0936; 39.3554
90; 90; 90
35641.2Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.
A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.
Chemical science, 2018, 9, 4630-4637
1549307 CIFC386 H560 Cd24 N24 O190 Tb8F d d d :254.777; 61.944; 79.935
90; 90; 90
271228Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.
A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.
Chemical science, 2018, 9, 4630-4637
1549308 CIFC1714.04 H2526.4 Cd96 N96 O683.24 Tb32F d d d :254.621; 61.479; 100.21
90; 90; 90
336510Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.
A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.
Chemical science, 2018, 9, 4630-4637
1549309 CIFC386 H500 Cd24 N24 O177 Tb8P -4 n 242.806; 42.806; 37.886
90; 90; 90
69421Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.
A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.
Chemical science, 2018, 9, 4630-4637
1549310 CIFC50 H103 K Mn O14P -111.5253; 16.1662; 16.7311
81.943; 88.463; 69.635
2892.8Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.
Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.
Chemical science, 2018, 9, 4524-4528
1549311 CIFC50 H103 K Mn O13P 1 21/n 111.3584; 17.2479; 29.111
90; 91.552; 90
5701Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.
Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.
Chemical science, 2018, 9, 4524-4528
1549312 CIFC38 H79 K Mn O5C 1 2/c 118.3234; 15.9361; 16.771
90; 122.093; 90
4148.8Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.
Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.
Chemical science, 2018, 9, 4524-4528
1549313 CIFC62 H46 B F24 Na O9P -114.295; 14.544; 17.347
100.67; 107.46; 105.51
3174Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549314 CIFC58 H46 B F24 Na O9P b c a19.142; 24.665; 26.029
90; 90; 90
12289Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549315 CIFC62 H52 B F30 Na O9P 1 21/n 120.158; 17.085; 20.698
90; 101.158; 90
6994Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549316 CIFC65 H75 B F24 Na O9 Si2P -113.9002; 14.0497; 21.1609
101.417; 103.6; 101.486
3804.07Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549317 CIFC46 H38 B F24 Li O9P 21 21 2112.8768; 17.6754; 22.1097
90; 90; 90
5032.2Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549318 CIFC102 H78 B2 Cl6 F48 Na2 O18P -116.654; 18.497; 20.536
70.108; 83.341; 89.951
5903Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549319 CIFC50 H41.87 B Cl8 F24 Na O9P 1 21/c 113.0127; 19.6275; 25.4722
90; 96.246; 90
6467.2Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549320 CIFC54 H54 B F24 Na O9P -112.434; 12.984; 20.025
93.798; 107.54; 104.457
2949.7Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max
Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.
Chemical science, 2018, 9, 4785-4793
1549332 CIFC8 H12 Br2 Cl3 N OC 1 2/c 118.3209; 12.3996; 12.1068
90; 98.766; 90
2718.2Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A.
β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer.
Chemical science, 2018, 9, 4500-4504
1549333 CIFC48 H57 B N2 OP -112.799; 13.808; 13.844
64.938; 70.414; 66.334
1989.3Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger
Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.
Chemical science, 2018, 9, 5354-5359
1549334 CIFC43 H68 B2 N2 OP 1 21/n 19.499; 22.755; 19.041
90; 91.58; 90
4114Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger
Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.
Chemical science, 2018, 9, 5354-5359
1549335 CIFC45 H52 B Cl N2C 1 2/c 126.74; 9.4128; 30.763
90; 100.73; 90
7608Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger
Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.
Chemical science, 2018, 9, 5354-5359
1549336 CIFC51.5 H72 B2 N4 OP -110.756; 12.715; 18.183
81.15; 87.75; 68.37
2284Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger
Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.
Chemical science, 2018, 9, 5354-5359
1549337 CIFC45 H51 B N2P 1 21/c 112.303; 12.532; 24.192
90; 100.95; 90
3662Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger
Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.
Chemical science, 2018, 9, 5354-5359
1549338 CIFC19 H21 O2 SP 1 21 16.612; 7.8997; 15.4119
90; 92.455; 90
804.27Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke
Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.
Chemical science, 2018, 9, 4992-4998
1549339 CIFC24 H27 B O4P 1 21 112.5495; 6.3424; 13.2506
90; 92.671; 90
1053.52Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke
Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.
Chemical science, 2018, 9, 4992-4998
1549367 CIFC54 H42 Co N4 O4P 1 21/c 114.361; 9.517; 15.449
90; 99.257; 90
2084Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Chemical science, 2018, 9, 4999-5007
1549368 CIFC62 H48 Co F N4 O4P c a 2121.495; 13.598; 16.434
90; 90; 90
4803.5Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Chemical science, 2018, 9, 4999-5007
1549369 CIFC85 H44 Co F15 N8 O4 SnP 1 21/c 117.25; 13.082; 32.044
90; 96.735; 90
7181Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Chemical science, 2018, 9, 4999-5007
1549370 CIFC74 H16 F30 N8 O Sn2P -112.8962; 15.333; 21.248
101.533; 90.07; 106.286
3944.2Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Chemical science, 2018, 9, 4999-5007
1549371 CIFC94 H52 Co F15 N8 O5 SnP -115.523; 16.499; 20.024
93.436; 111.524; 102.953
4591.9Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Chemical science, 2018, 9, 4999-5007
1549373 CIFC22 H17 N O9P c a 217.0231; 17.534; 14.6817
90; 90; 90
1807.9Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf
Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.
Chemical science, 2018, 9, 4898-4908
1549374 CIFC22 H17 N O9P -17.0902; 7.9097; 17.33
89.561; 84.797; 74.655
933.2Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf
Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.
Chemical science, 2018, 9, 4898-4908
1549375 CIFC54 H33 Cl Ir N6 S2P 1 21/n 114.6864; 15.1284; 29.6362
90; 99.037; 90
6502.9Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui
Oncosis-inducing cyclometalated iridium(iii) complexes.
Chemical science, 2018, 9, 5183-5190
1549376 CIFC19 H13 Br F3 N O3 SP 6116.963; 16.963; 11.4256
90; 90; 120
2847.2Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.
Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.
Chemical science, 2018, 9, 4909-4918
1549377 CIFC27 H42 Cl4 N2 PdI 41/a :227.4219; 27.4219; 15.9884
90; 90; 90
12022.7Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing
Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations
Polymer Chemistry, 2018, 9, 3088
1549378 CIFC20 H28 Cl2 N2 PdP b c a13.5058; 13.9638; 21.6147
90; 90; 90
4076.4Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing
Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations
Polymer Chemistry, 2018, 9, 3088
1549379 CIFC36 H46 Cl2 N2 O PdP n m a11.5645; 21.3415; 13.8095
90; 90; 90
3408.24Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing
Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations
Polymer Chemistry, 2018, 9, 3088
1549380 CIFC28 H30 Cl2 N2 O PdP 1 21/n 114.0031; 17.0473; 21.8047
90; 102.678; 90
5078.2Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing
Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations
Polymer Chemistry, 2018, 9, 3088
1549382 CIFC21 H29 N O3 S SiP 1 21/n 111.6959; 16.06; 11.9522
90; 91.981; 90
2243.71Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges
Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.
Chemical science, 2018, 9, 5057-5063
1549383 CIFC21 H25 B F N O4 SP 1 21/c 110.5498; 19.255; 10.4914
90; 105.495; 90
2053.72Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges
Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.
Chemical science, 2018, 9, 5057-5063
1549384 CIFC48 H78 Co Li2 Ni O18P -111.4322; 12.2773; 12.5149
103.535; 107.265; 110.653
1452.5Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549385 CIFC48 H78 Li2 Ni2 O18P -111.408; 12.249; 12.519
103.477; 107.088; 110.797
1447.5Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549386 CIFC48 H78 Li2 Mg1.07 Ni0.93 O18P -111.5228; 12.2661; 12.5357
103.595; 106.954; 111.073
1462.29Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549387 CIFC48 H78 Co1.06 Li2 Mg0.94 O18P -111.5502; 12.2971; 12.5192
103.554; 107.079; 110.959
1468.06Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549388 CIFC113 H184 O6 Si8 Ti4P 1 21/n 114.5653; 25.3532; 31.1528
90; 91.249; 90
11501.3Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham
Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.
Chemical science, 2018, 9, 5008-5014
1549389 CIFC55 H92 O2 Si4 Ti2P 1 21/n 112.9536; 22.7968; 18.9201
90; 92.537; 90
5581.6Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham
Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.
Chemical science, 2018, 9, 5008-5014
1549391 CIFC41.5 H56 Cl4 O12.5 U2P -110.683; 11.322; 11.736
67.493; 86.541; 76.417
1274Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.
Chemical science, 2018, 9, 5021-5032
1549392 CIFC60 H148 Cl42 O76 U38I 4/m19.6962; 19.6962; 29.9535
90; 90; 90
11620.2Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.
Chemical science, 2018, 9, 5021-5032
1549397 CIFC24 H36 N2 S SiI 1 2/a 124.712; 8.4842; 24.907
90; 101.616; 90
5115Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M.
The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides
Polymer Chemistry, 2018, 9, 2759
1549398 CIFC54 H84 Co I3 N6 O6 S6P 1 21 123.057; 13.6098; 23.378
90; 110.977; 90
6849.8Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.
The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.
Chemical science, 2018, 9, 5087-5099
1549399 CIFC30 H30 N2 O3 SP 1 21/n 113.2526; 8.5485; 23.163
90; 97.46; 90
2601.9Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549400 CIFC33 H32 N2 O3 SP 21 21 219.5994; 14.7775; 19.9833
90; 90; 90
2834.7Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549401 CIFC30 H32 N2 O3 SP 1 21/n 114.6758; 8.1119; 22.258
90; 97.042; 90
2629.8Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549403 CIFC32 H32 N6 O5F d d 229.697; 33.356; 5.4539
90; 90; 90
5402.5Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Copper mediated C-H amination with oximes: en route to primary anilines.
Chemical science, 2018, 9, 5160-5164
1549404 CIFC22 H20 N4 O2P 1 21 112.646; 8.4619; 17.452
90; 90.459; 90
1867.5Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Copper mediated C-H amination with oximes: en route to primary anilines.
Chemical science, 2018, 9, 5160-5164
1549405 CIFC17 H17 N O3P 1 21 17.731; 8.2071; 11.5044
90; 107.779; 90
695.08Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549406 CIFC34 H51 N3 O4P 1 21/c 114.4518; 15.8358; 14.1208
90; 93.946; 90
3223.97Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549407 CIFC16 H14 Cl N O2P 1 21 15.0463; 10.357; 13.2269
90; 92.007; 90
690.87Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549408 CIFC112 H88 Co N8 O8C 2 2 2112.7206; 36.0918; 22.8341
90; 90; 90
10483.3Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549409 CIFC20 H14 Br2 F4 N4 SP 1 21/c 114.8145; 12.6491; 11.5796
90; 106.709; 90
2078.28Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio
An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.
Chemical science, 2018, 9, 4931-4936
1549410 CIFC20 H14 Br2 F4 N4 SP 1 21/n 112.592; 7.7321; 21.336
90; 96.291; 90
2064.8Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio
An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.
Chemical science, 2018, 9, 4931-4936
1549411 CIFC13 H12 Cl F6 N OP 1 21/c 17.6263; 16.9562; 10.843
90; 92.648; 90
1400.64Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.
Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.
Chemical science, 2018, 9, 5360-5365
1549414 CIFC11 H12 B Br F3 NP 1 21 19.1247; 11.1474; 11.9275
90; 90.442; 90
1213.2Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549415 CIFC8 H8 B F4 NP 1 21/c 16.1042; 37.0556; 7.9394
90; 93.529; 90
1792.45Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549416 CIFC13 H18 B F4 NP 21 21 218.4831; 8.7906; 17.8568
90; 90; 90
1331.61Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549417 CIFC35.5 H39 B2 F8 N2 O0.5P 1 21/n 19.1554; 14.8171; 24.131
90; 93.931; 90
3265.82Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549418 CIFC11 H14 B F4 NP 21 21 2110.8597; 11.1368; 19.408
90; 90; 90
2347.25Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549419 CIFGa2 Ge Na2 S Se5F d d 212.987; 23.653; 7.519
90; 90; 90
2310Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549420 CIFGa2 Ge Na2 Se6F d d 212.985; 23.88; 7.585
90; 90; 90
2352Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549421 CIFGa2 Na2 Se6 SnF d d 213.329; 24.291; 7.621
90; 90; 90
2467.5Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549422 CIFGa2 Na2 S Se5 SnF d d 213.264; 23.936; 7.514
90; 90; 90
2385.6Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549423 CIFC18 H17 N Na O5P 6320.8091; 20.8091; 6.5883
90; 90; 120
2470.6Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549424 CIFC18 H17 N Na O5P 6320.7637; 20.7637; 6.5915
90; 90; 120
2461.07Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549425 CIFC26 H40 N2 O6P 18.8976; 9.7399; 15.4155
93.972; 99.602; 107.215
1248.19Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549426 CIFC40 H27 Cl OP -110.7657; 11.9402; 12.6973
65.614; 84.355; 71.603
1409.62Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549427 CIFC36 H24 OP 1 21/c 110.7377; 7.2096; 30.6438
90; 97.73; 90
2350.72Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549428 CIFC42 H28 Cl OP -17.3515; 11.2839; 19.4024
74.348; 87.386; 73.241
1483.1Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549429 CIFC58 H48 Br2 Cu N4 O4P 1 21/c 116.4411; 8.849; 18.948
90; 115.172; 90
2494.9Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M.
Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP
Polymer Chemistry, 2018, 9, 3359
1549430 CIFC4 H15 B11 Br6 SiP -17.628; 10.6903; 12.8641
83.21; 88.683; 73.76
1000.03Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549431 CIFC14 H19 B11 Br6 SiP b c a18.5845; 14.7047; 19.673
90; 90; 90
5376.23Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549432 CIFC19 H29 B11 Br6 Cl2 SiC 1 c 110.26054; 38.4104; 8.64061
90; 100.552; 90
3347.78Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549433 CIFC8.5 H12.5 Cl1.5 I N OC 1 2/c 125.6568; 9.9841; 9.988
90; 95.639; 90
2546.15Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549434 CIFC8 H12 Br N O2P -17.0213; 11.7894; 12.2156
72.797; 86.293; 89.879
963.76Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549435 CIFC21 H30 N2 OP 1 21/n 114.727; 5.7756; 21.9219
90; 92.4149; 90
1862.96Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549436 CIFC12 H12 I N O2P 1 21/c 112.8692; 8.4534; 11.4743
90; 99.0055; 90
1232.88Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549437 CIFC13 H12 F3 IP -15.602; 8.9978; 13.3874
95.953; 98.695; 98.785
653.64Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549438 CIFC15 H16 O2P 1 21 18.6189; 8.0477; 8.6853
90; 101.24; 90
590.88Jurberg, Igor D.; Davies, Huw M. L.
Blue light-promoted photolysis of aryldiazoacetates.
Chemical science, 2018, 9, 5112-5118
1549450 CIFC12 H24 Co N7 O9R 3 c :H19.835; 19.835; 29.0373
90; 90; 120
9893.5Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.
A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.
Chemical science, 2018, 9, 4950-4958
1549451 CIFC14 H27 Br3 Co N5P 1 21/c 19.9394; 9.5494; 21.4604
90; 90.9342; 90
2036.65Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.
A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.
Chemical science, 2018, 9, 4950-4958
1549452 CIFC42 H36 N2 O4P -18.8034; 9.6631; 10.5046
102.117; 107.299; 102.283
797.12Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.
Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.
Chemical science, 2018, 9, 5415-5426

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