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Information card for entry 7155825
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| Coordinates | 7155825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H65 F12 N7 O S2 |
|---|---|
| Calculated formula | C52 H61 F12 N7 S2 |
| 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 | 30.8271 ± 0.0017 Å |
| b | 8.5867 ± 0.0004 Å |
| c | 22.1213 ± 0.0016 Å |
| α | 90° |
| β | 108.296 ± 0.003° |
| γ | 90° |
| Cell volume | 5559.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.1751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7155825.cif |
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Users of the data should acknowledge the original authors of the
structural data.