Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122043
Preview
| Coordinates | 7122043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 N2 O |
|---|---|
| Calculated formula | C24 H20 N2 O |
| Title of publication | Chiral phosphoric acid catalyzed enantioselective N-alkylation of indoles with in situ generated cyclic N-acyl ketimines. |
| Authors of publication | Zhang, Lvye; Wu, Binqiang; Chen, Zhangtao; Hu, Jinjin; Zeng, Xiaofei; Zhong, Guofu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 66 |
| Pages of publication | 9230 - 9233 |
| a | 9.126 ± 0.002 Å |
| b | 9.491 ± 0.003 Å |
| c | 11.16 ± 0.003 Å |
| α | 101.7 ± 0.03° |
| β | 96.75 ± 0.02° |
| γ | 96.63 ± 0.03° |
| Cell volume | 930.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.1131 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1839 |
| Weighted residual factors for all reflections included in the refinement | 0.2249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122043.cif |
| 228342 | 2019-11-17 | cif/ Updating files of 7122043 Original log message: Adding full bibliography for 7122043.cif. |
7122043.cif |
| 209262 | 2018-07-26 | cif/ Adding structures of 7122043 via cif-deposit CGI script. |
7122043.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.