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Information card for entry 3500149
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| Coordinates | 3500149.cif |
|---|---|
| Structure factors | 3500149.hkl |
| Formula | C12 H10 O |
|---|---|
| Calculated formula | C12 H10 O |
| Title of publication | Non spherical atom form-factors refinement of 4-Hydroxybiphenyl |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 19.9626 ± 0.0005 Å |
| b | 5.4251 ± 0.0001 Å |
| c | 7.9004 ± 0.0002 Å |
| α | 90° |
| β | 94.46 ± 0.001° |
| γ | 90° |
| Cell volume | 853.02 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1135 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.