Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032409
Preview
Coordinates | 4032409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H42 N4 O6 |
---|---|
Calculated formula | C40 H42 N4 O6 |
SMILES | N1(c2c([C@@](NC(=O)OC(C)(C)C)([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)NC(=O)OC(C)(C)C)C1=O)cccc2)Cc1ccccc1.N1(c2c([C@](NC(=O)OC(C)(C)C)([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)NC(=O)OC(C)(C)C)C1=O)cccc2)Cc1ccccc1 |
Title of publication | Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles. |
Authors of publication | Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3895 - 3900 |
a | 11.313 ± 0.003 Å |
b | 11.4 ± 0.003 Å |
c | 16.467 ± 0.005 Å |
α | 99.471 ± 0.011° |
β | 95.525 ± 0.012° |
γ | 114.446 ± 0.011° |
Cell volume | 1874.8 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.1245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4032409.html
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.