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Information card for entry 1574149
Preview
| Coordinates | 1574149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE |
|---|---|
| Chemical name | BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE |
| Formula | C56 H84 Cl N6 O13 P |
| Calculated formula | C56 H84 Cl N6 O13 P |
| a | 12.5749 ± 0.0008 Å |
| b | 14.8653 ± 0.0009 Å |
| c | 16.1941 ± 0.001 Å |
| α | 82.653 ± 0.002° |
| β | 80.4795 ± 0.0019° |
| γ | 76.8419 ± 0.0019° |
| Cell volume | 2894.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298416 (current) | 2025-03-13 | cif/ Adding structures of 1574143, 1574144, 1574145, 1574146, 1574147, 1574148, 1574149 via cif-deposit CGI script. |
1574149.cif |
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Users of the data should acknowledge the original authors of the
structural data.