Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518827
Preview
Coordinates | 4518827.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 Br Mn N3 O3 |
---|---|
Calculated formula | C21 H19 Br Mn N3 O3 |
Title of publication | Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones |
Authors of publication | Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 13 |
Pages of publication | 8033 - 8041 |
a | 13.1249 ± 0.001 Å |
b | 18.8575 ± 0.0014 Å |
c | 20.0527 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4963.1 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153.15 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0458 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.0964 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266956 (current) | 2021-07-04 | cif/ Updating files of 4518826, 4518827 Original log message: Adding full bibliography for 4518826--4518827.cif. |
4518827.cif |
266540 | 2021-06-18 | cif/ Adding structures of 4518827 via cif-deposit CGI script. |
4518827.cif |
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.