Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236252
Preview
| Coordinates | 7236252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H13 B F2 N2 O2 |
|---|---|
| Calculated formula | C16 H13 B F2 N2 O2 |
| Title of publication | Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes |
| Authors of publication | Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 89 |
| Pages of publication | 86352 |
| a | 10.1732 ± 0.001 Å |
| b | 7.3747 ± 0.0007 Å |
| c | 19.0117 ± 0.0019 Å |
| α | 90° |
| β | 94.747 ± 0.002° |
| γ | 90° |
| Cell volume | 1421.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236252.cif |
| 235317 | 2019-11-23 | cif/ Adding structures of 7236252 via cif-deposit CGI script. |
7236252.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.