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Information card for entry 7238525
Preview
| Coordinates | 7238525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H20 O |
|---|---|
| Calculated formula | C10 H20 O |
| Title of publication | Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates |
| Authors of publication | Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 7055 |
| a | 11.9521 ± 0.001 Å |
| b | 12.4769 ± 0.0012 Å |
| c | 12.7864 ± 0.001 Å |
| α | 117.498 ± 0.005° |
| β | 99.008 ± 0.006° |
| γ | 103.867 ± 0.006° |
| Cell volume | 1561 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244201 (current) | 2019-11-28 | cif/ Adding structures of 7238525 via cif-deposit CGI script. |
7238525.cif |
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Users of the data should acknowledge the original authors of the
structural data.