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CIF Information Card
Information card for 7101804
7101803 << 7101804 >> 7101805Preview
|
Coordinates |
7101804.cif |
Structure parameters
| Common name | octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O |
| Chemical name | octakis(2,3,6-tri-O-acetyl)-gamma-cyclodextrin.2(ethanol).H2O |
| Formula | - C100 H142 O67 - |
| Calculated formula | - C100 H140 O67 - |
| Title of publication | Effect of peracetylation on the conformation of gamma-cyclodextrin. |
| Authors of publication | Caira, Mino R; Bettinetti, Giampiero; Sorrenti, Milena; Catenacci, Laura; Cruickshank, Dyanne; Davies, Kate |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 12 |
| Pages of publication | 1221 - 1223 |
| a | 25.0841 ± 0.0001 Å |
| b | 25.0841 ± 0.0001 Å |
| c | 38.276 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 24083.7 ± 0.2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 41 21 2 |
| Hall symmetry space group | P 4abw 2nw |
| Residual factor for all reflections | 0.0806 |
| Residual factor for observed reflections | 0.0699 |
| Weighted residual factors for the observed reflections | 0.1939 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for observed reflections | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |