Information card for entry 1503871

Structure parameters

• Formula: C23 H40 O Si2
• Calculated formula: C23 H40 O Si2
• SMILES: [Si]1(OC(/C(=C([Si](C)(C)C)\C)C1)(C)c1ccccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.
• Authors of publication: Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2173 - 2175
• a: 11.2644 ± 0.0012 Å
• b: 18.238 ± 0.002 Å
• c: 12.7049 ± 0.0014 Å
• α: 90°
• β: 111.178 ± 0.002°
• γ: 90°
• Cell volume: 2433.8 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No