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Information card for entry 1575472
Preview
| Coordinates | 1575472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 Br N O3 |
|---|---|
| Calculated formula | C11 H16 Br N O3 |
| a | 9.2772 ± 0.0001 Å |
| b | 16.3448 ± 0.0002 Å |
| c | 7.9435 ± 0.0001 Å |
| α | 90° |
| β | 99.375 ± 0.001° |
| γ | 90° |
| Cell volume | 1188.42 ± 0.02 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301757 (current) | 2025-08-16 | cif/ Adding structures of 1575468, 1575469, 1575470, 1575471, 1575472, 1575473, 1575474, 1575475, 1575476 via cif-deposit CGI script. |
1575472.cif |
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Users of the data should acknowledge the original authors of the
structural data.