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CIF Information Card
Information card for 4114436
4114435 << 4114436 >> 4114437Preview
|
Coordinates |
4114436.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 | 7.2034 ± 0.0008 Å |
| b | 9.7662 ± 0.001 Å |
| c | 12.7749 ± 0.0014 Å |
| α | 82.283 ± 0.002° |
| β | 85.747 ± 0.002° |
| γ | 74.337 ± 0.002° |
| Cell volume | 856.83 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 566 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0675 |
| Residual factor for observed reflections | 0.0566 |
| Weighted residual factors for the observed reflections | 0.1852 |
| Weighted residual factors for all reflections included in the refinement | 0.2081 |
| Goodness-of-fit parameter for observed reflections | 0.855 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |