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CIF Information Card
Information card for 4114437
4114436 << 4114437 >> 4114438Preview
|
Coordinates |
4114437.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 | 42.404 ± 0.007 Å |
| b | 9.581 ± 0.003 Å |
| c | 26.311 ± 0.005 Å |
| α | 90° |
| β | 96.37 ± 0.02° |
| γ | 90° |
| Cell volume | 10623 ± 4 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.331 |
| Residual factor for observed reflections | 0.073 |
| Weighted residual factors for all reflections | 0.487 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections | 0 |
| Goodness-of-fit parameter for observed reflections | 1.917 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |