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Information card for entry 2101530
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| Coordinates | 2101530.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C27 H50 O6 |
|---|---|
| Calculated formula | C27 H50 O6 |
| Title of publication | Crystal and molecular structure of 1,25-dihydroxycholecalciferol |
| Authors of publication | Suwińska, K.; Kutner, A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 3 |
| Pages of publication | 550 - 554 |
| a | 6.234 ± 0.002 Å |
| b | 15.628 ± 0.003 Å |
| c | 30.749 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2995.7 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2232 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections | 0.2751 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Goodness-of-fit parameter for all reflections | 0.974 |
| Goodness-of-fit parameter for significantly intense reflections | 1.212 |
| 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
structural data.