Information card for entry 1566421

Structure parameters

• Formula: C16 H22 O4 Si
• Calculated formula: C16 H22 O4 Si
• Title of publication: Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes
• Authors of publication: Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.6905 ± 0.0001 Å
• b: 16.3296 ± 0.0001 Å
• c: 11.4842 ± 0.0001 Å
• α: 90°
• β: 98.168 ± 0.001°
• γ: 90°
• Cell volume: 1613.22 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No