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Information card for entry 3500173
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| Coordinates | 3500173.cif |
|---|---|
| Structure factors | 3500173.hkl |
| Common name | 4,4'-Dimethoxybiphenyl |
|---|---|
| Chemical name | 4,4'-dimethoxy-1,1'-biphenyl |
| Formula | C14 H14 O2 |
| Calculated formula | C14 H14 O2 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 7.2982 ± 0.0005 Å |
| b | 6.1608 ± 0.0005 Å |
| c | 24.6239 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1107.16 ± 0.14 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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.