Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130021
Preview
Coordinates | 7130021.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-(azepan-1-yl)phenanthro[9,10-d]oxazole |
---|---|
Formula | C21 H20 N2 O |
Calculated formula | C21 H20 N2 O |
Title of publication | Proline selective labeling via on-site construction of naphthoxazole (NapOx) |
Authors of publication | Roy, Subhra Kanti; Purkait, Anisha; Shome, Rajib; Das, Saurav; Das, Debapratim; Ghosh, Siddhartha Sankar; Jana, Chandan K. |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 11.6978 ± 0.0006 Å |
b | 5.1772 ± 0.0002 Å |
c | 14.0219 ± 0.0007 Å |
α | 90° |
β | 107.748 ± 0.006° |
γ | 90° |
Cell volume | 808.78 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
Diffraction radiation probe | x-ray |
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/7130021.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.