Crystallography Open Database

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1549289 CIFC30 H28P 1 21/c 118.1203; 6.99093; 19.2375
90; 112.45; 90
2252.27Cai, 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
1549290 CIFC30 H24P 1 21/c 111.90924; 17.5617; 9.90343
90; 101.393; 90
2030.45Cai, 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
1549291 CIFC30 H28P 1 21/n 114.1772; 10.8633; 14.2137
90; 95.1137; 90
2180.36Cai, 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
1549292 CIFC30 H26P 1 21/c 117.4337; 6.9903; 17.935
90; 103.64; 90
2124Cai, 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
1549293 CIFC30 H22C 1 2/c 118.2724; 19.5178; 18.301
90; 113.791; 90
5972.2Cai, 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
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
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

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