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Information card for entry 2003003
Preview
| Coordinates | 2003003.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | gamma-Cyclodextrin methanol |
|---|---|
| Formula | ? |
| Calculated formula | C48 H56 O53.28 |
| Title of publication | Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate |
| Authors of publication | Steiner, T.; Saenger, W. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 450 - 455 |
| a | 23.808 ± 0.004 Å |
| b | 23.808 ± 0.004 Å |
| c | 23.14 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13116 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 90 |
| Hermann-Mauguin space group symbol | P 4 21 2 |
| Hall space group symbol | P 4ab 2ab |
| Residual factor for all reflections | 0.152 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections | 0.2618 |
| Weighted residual factors for significantly intense reflections | 0.2201 |
| Goodness-of-fit parameter for all reflections | 1.009 |
| Goodness-of-fit parameter for significantly intense reflections | 1.339 |
| Diffraction radiation wavelength | 1.54176 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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