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CIF Information Card
Information card for 4114438
4114437 << 4114438 >> 4114439Preview
|
Coordinates |
4114438.cif |
Structure parameters
| Formula | - C42 H40 O2 Si2 - |
| Calculated formula | - C42 H40 O2 Si2 - |
| Title of publication | Why Are Silyl Ethers Conformationally Different from Alkyl Ethers? Chair-Chair Conformational Equilibria in Silyloxycyclohexanes and Their Dependence on the Substituents on Silicon. The Wider Roles of Eclipsing, of 1,3-Repulsive Steric Interactions, and of Attractive Steric Interactions |
| Authors of publication | Cecilia H. Marzabadi; J. Edgar Anderson; Jorge Gonzalez-Outeirino; Piers R. J. Gaffney; Christopher G. H. White; Derek A. Tocher; Louis J. Todaro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 15163 - 15173 |
| a | 24.837 ± 0.002 Å |
| b | 9.829 ± 0.002 Å |
| c | 29.206 ± 0.003 Å |
| α | 90° |
| β | 96.53 ± 0.08° |
| γ | 90° |
| Cell volume | 7084 ± 2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.165 |
| Residual factor for observed reflections | 0.049 |
| Weighted residual factors for all reflections | 0.278 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections | 8.907 |
| Goodness-of-fit parameter for observed reflections | 1.51 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |