Information card for entry 1563645

Structure parameters

• Formula: C15 H22 Cl2 O2 Si
• Calculated formula: C15 H22 Cl2 O2 Si
• SMILES: [Si]1(OC(CCC(O1)(C)C)(C)C)(C)c1cc(Cl)cc(Cl)c1
• Title of publication: Dioxasilepanyl Group as a Versatile Organometallic Unit: Studies in Stability, Reactivity, and Utility
• Authors of publication: Saito, Hayate; Shimokawa, Jun; Yorimitsu, Hideki
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.3456 ± 0.001 Å
• b: 24.203 ± 0.004 Å
• c: 8.4795 ± 0.0011 Å
• α: 90°
• β: 95.737 ± 0.004°
• γ: 90°
• Cell volume: 1704.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No