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Information card for entry 2006076
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| Coordinates | 2006076.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | isotretinoin |
|---|---|
| Chemical name | 13-cis-retinoic acid |
| Formula | C20 H28 O2 |
| Calculated formula | C20 H27.8 O2 |
| Title of publication | Disorder in 13-<i>cis</i>-Retinoic Acid |
| Authors of publication | Malpezzi, L.; Fuganti, C.; Grasselli, P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 508 - 511 |
| a | 7.17 ± 0.001 Å |
| b | 30.766 ± 0.001 Å |
| c | 16.91 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3730.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c a |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections | 0.133 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Goodness-of-fit parameter for all reflections | 1.043 |
| Goodness-of-fit parameter for significantly intense reflections | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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