Crystallography Open Database

Result: there are 551 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Chemical science' volume of publication is 13

Left arrow Left arrow First | Left arrow Previous 20 | of 28 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue down arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1567902 CIFC132 H56 N4 Ni ThC 1 2/m 125.261; 14.9722; 19.9879
90; 94.646; 90		7534.8Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning
ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.
Chemical science, 2022, 13, 12980-12986
1567901 CIFC132 H56 N4 Ni ThC 1 2/m 125.3169; 15.0051; 19.9071
90; 94.325; 90		7540.8Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning
ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.
Chemical science, 2022, 13, 12980-12986
1567896 CIFC68 H72 B2 N2P -19.5981; 11.916; 25.0597
85.521; 89.469; 89.876		2857.2Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong
Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.
Chemical science, 2022, 13, 12996-13005
1567895 CIFC60 H56 B2 N2P 1 21/c 127.7304; 9.0103; 18.61
90; 98.171; 90		4602.7Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong
Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.
Chemical science, 2022, 13, 12996-13005
1567894 CIFC52 H40 B2 N2C 1 2/c 126.1224; 8.3077; 18.9832
90; 106.476; 90		3950.5Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong
Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.
Chemical science, 2022, 13, 12996-13005
1567885 CIFC79 H71 B2 Cl Dy N7P 1 21/c 123.6641; 14.1103; 21.3612
90; 96.266; 90		7090.1Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang
Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.
Chemical science, 2022, 13, 13231-13240
1567884 CIFC86 H78 B2 Cl2 Dy N7 OP -114.0388; 14.481; 21.4518
91.27; 97.279; 111.868		4003.23Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang
Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.
Chemical science, 2022, 13, 13231-13240
1567883 CIFC81 H76 B2 Cl2 Dy N7 OP -112.7371; 14.2679; 22.1844
101.261; 93.525; 116.025		3503.18Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang
Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.
Chemical science, 2022, 13, 13231-13240
1567882 CIFC87 H48 O32 U4P -4 3 m20.902; 20.902; 20.902
90; 90; 90		9131.95Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K.
Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis.
Chemical science, 2022, 13, 13032-13039
1567878 CIFC26 H26 Cl2 Ni P2P 1 21/n 19.345; 15.097; 9.749
90; 113.171; 90		1264.5Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.
Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.
Chemical science, 2022, 13, 12906-12912
1567877 CIFC52 H52 Ni P4P -110.507; 13.045; 16.585
81.696; 80.885; 84.254		2214Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.
Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.
Chemical science, 2022, 13, 12906-12912
1567835 CIFC21 H27 N3 O6P -19.497; 14.1349; 16.2663
77.872; 89.269; 87.51		2132.8Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun
Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates.
Chemical science, 2022, 13, 13141-13146
1567834 CIFC96 H76 N4 O8P 1 21/c 19.4143; 14.69; 13.927
90; 106.73; 90		1844.5He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong
Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.
Chemical science, 2022, 13, 12769-12775
1567833 CIFC450 H342 N18 O36R -3 :H32.848; 32.848; 10.842
90; 90; 120		10131He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong
Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.
Chemical science, 2022, 13, 12769-12775
1567832 CIFC112 H132 N8 O4P -16.2055; 11.319; 32.886
89.884; 85.258; 89.848		2302He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong
Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.
Chemical science, 2022, 13, 12769-12775
1567819 CIFC44 H47 Mn N4 O S4P 1 21/n 113.8594; 19.0914; 16.2268
90; 103; 90		4183.5Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom
Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation
Chemical Science, 2022, 13, 12550-12559
1567818 CIFC30 H32 Mn N2 S4P -111.3144; 11.4859; 12.22
88.259; 81.481; 65.401		1427.1Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom
Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation
Chemical Science, 2022, 13, 12550-12559
1567817 CIFC25 H19 N OP 1 21 18.5649; 10.4376; 9.9968
90; 98.418; 90		884.06Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle)
Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters
Chemical Science, 2022, 13, 12498-12502
1567816 CIFC37 H59 F12 N6 O12.5 S4P 1 21/c 114.521; 11.291; 30.821
90; 93.8; 90		5042.2Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
A bis-NHC–CAAC dimer derived dicationic diradical
Chemical Science, 2022, 13, 12533-12539
1567815 CIFC42 H68 F6 N8 O6 S2P n a 2127.5528; 8.4292; 22.0477
90; 90; 90		5120.5Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
A bis-NHC–CAAC dimer derived dicationic diradical
Chemical Science, 2022, 13, 12533-12539

Left arrow Left arrow First | Left arrow Previous 20 | of 28 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.