Information card for entry 1505315

Structure parameters

• Formula: C24 H22 O Si
• Calculated formula: C24 H22 O Si
• SMILES: [Si]([C@@H]1C(=O)C=CCC1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Studies of the stereochemistry of [2+2]-photocycloaddition reactions of 2-cyclohexenones with olefins.
• Authors of publication: Shen, Ruichao; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1057 - 1059
• a: 9.635 ± 0.002 Å
• b: 10.304 ± 0.002 Å
• c: 19.145 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No