Information card for entry 4073711

Structure parameters

• Formula: C13 H22 O Si2
• Calculated formula: C13 H22 O Si2
• SMILES: [Si]1(C)(C)CC[Si](C)(C)c2c1cc(c(c2)C)O
• 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: 9.2211 ± 0.0018 Å
• b: 10.489 ± 0.002 Å
• c: 16.445 ± 0.003 Å
• α: 92.22 ± 0.03°
• β: 102.27 ± 0.03°
• γ: 100.55 ± 0.03°
• Cell volume: 1523 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No