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Information card for entry 2012991
Preview
| Coordinates | 2012991.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 9-methylfluoren-9-ol |
|---|---|
| Formula | C14 H12 O |
| Calculated formula | C14 H12 O |
| SMILES | OC1(c2ccccc2c2c1cccc2)C |
| Title of publication | The low-temperature phase transition of 9-methylfluoren-9-ol: comparison of the crystal structures at 100 and 200K |
| Authors of publication | Morris, David G.; Muir, Kenneth W.; Ryder, Karl S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 10 |
| Pages of publication | o615 - o618 |
| a | 9.254 ± 0.0002 Å |
| b | 11.4154 ± 0.0004 Å |
| c | 11.8476 ± 0.0004 Å |
| α | 89.198 ± 0.001° |
| β | 116.162 ± 0.001° |
| γ | 107.108 ± 0.001° |
| Cell volume | 1063.82 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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