Information card for entry 4073710

Structure parameters

• Formula: C19 H33 B O2 Si2
• Calculated formula: C19 H33 B O2 Si2
• SMILES: [Si]1(C)(C)CC[Si](C)(C)c2c1cc(B1OC(C(O1)(C)C)(C)C)c(c2)C
• Title of publication: Development of a New Building Block for the Synthesis of Silicon-Based Drugs and Odorants: Alternative Synthesis of the Retinoid Agonist Disila-bexarotene
• Authors of publication: Büttner, Matthias W.; Nätscher, Jennifer B.; Burschka, Christian; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4835
• a: 15.5982 ± 0.0019 Å
• b: 13.21 ± 0.0015 Å
• c: 11.1157 ± 0.0012 Å
• α: 90°
• β: 108.847 ± 0.012°
• γ: 90°
• Cell volume: 2167.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No