Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104882
Preview
Coordinates | 8104882.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | <i>N,N</i>-Diphenylformamide |
---|---|
Chemical name | <i>N,N</i>-Diphenylformamide |
Formula | C13 H11 N O |
Calculated formula | C13 H11 N O |
Title of publication | Crystal structure of N,N-diphenylformamide, C13H11NO |
Authors of publication | Hosten, Eric C.; Betz, Richard |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 1 |
Pages of publication | 57 - 59 |
a | 23.801 ± 0.004 Å |
b | 6.051 ± 0.0013 Å |
c | 7.2677 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1046.7 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.0896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
273997 (current) | 2022-03-25 | cif/ Adding structures of 8104882 via cif-deposit CGI script. |
8104882.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.