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Information card for entry 1570308
Preview
| Coordinates | 1570308.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1-(1-Hydroxycyclohexyl)cyclohexan-1-ol |
|---|---|
| Chemical name | [1,1'-Bicyclohexane]-1,1'-diol |
| Formula | C12 H22 O2 |
| Calculated formula | C12 H22 O2 |
| Title of publication | [1,1′-Bicyclohexane]-1,1′-diol |
| Authors of publication | Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 11 |
| a | 9.8996 ± 0.0007 Å |
| b | 10.0299 ± 0.0007 Å |
| c | 17.9841 ± 0.0013 Å |
| α | 73.81 ± 0.003° |
| β | 86.774 ± 0.004° |
| γ | 83.592 ± 0.003° |
| Cell volume | 1703.6 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287613 (current) | 2023-11-15 | cif/ Adding structures of 1570308 via cif-deposit CGI script. |
1570308.cif |
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Users of the data should acknowledge the original authors of the
structural data.