Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7155822
Preview
| Coordinates | 7155822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30.5 F6 N3.5 O |
|---|---|
| Calculated formula | C26 H30.5 F6 N3.5 O |
| Title of publication | Insight into the Deprotonation at the Half-Equivalence for (Thio)Amido-Benzimidazoles in the Presence of Anions |
| Authors of publication | Koeller, Sylvain; Lescure, Marie-Helene; Davies, Clotilde; Desvergne, Jean-Pierre; massip, Stéphane; Bibal, Brigitte |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 10.428 ± 0.0001 Å |
| b | 8.6604 ± 0.0001 Å |
| c | 30.374 ± 0.002 Å |
| α | 90° |
| β | 99.054 ± 0.006° |
| γ | 90° |
| Cell volume | 2708.92 ± 0.19 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0787 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199765 (current) | 2017-08-15 | cif/ Adding structures of 7155821, 7155822, 7155823, 7155824, 7155825, 7155826, 7155827 via cif-deposit CGI script. |
7155822.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.