Information card for entry 4066929

Structure parameters

• Formula: C16 H28 O Si3
• Calculated formula: C16 H28 O Si3
• SMILES: [Si]1([Si]([Si](C)(C)c2c1cc(c(c2)CC)C(=O)C)(C)C)(C)C
• Title of publication: 5,6-Disubstituted 1,2,3-Trisilaindanes as Silicon Analogues of Phantolide-Type Musk Odorants: Synthesis, Structure, Reactivity, and Olfactory Properties§
• Authors of publication: Gluyas, Josef B. G.; Burschka, Christian; Kraft, Philip; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5897
• a: 10.8718 ± 0.0013 Å
• b: 35.093 ± 0.004 Å
• c: 10.3208 ± 0.0012 Å
• α: 90°
• β: 89.999 ± 0.014°
• γ: 90°
• Cell volume: 3937.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No