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CIF Information Card
Information card for 2011693
2011692 << 2011693 >> 2011694Preview
|
Coordinates |
2011693.cif |
|
Structure factors |
2011693.hkl |
Structure parameters
| Formula | - C33 H48 O12 S2 - |
| Calculated formula | - C33 H42 O12 S2 - |
| Title of publication | 10-Deacetyl baccatin III dimethyl sulfoxide disolvate |
| Authors of publication | Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Pages of publication | 64 - 65 |
| a | 9.3677 ± 0.001 Å |
| b | 21.991 ± 0.004 Å |
| c | 9.4564 ± 0.0011 Å |
| α | 90° |
| β | 115.827 ± 0.009° |
| γ | 90° |
| Cell volume | 1753.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 0.0556 |
| Weighted residual factors for the observed reflections | 0.136 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |