Information card for entry 4066930

Structure parameters

• Formula: C15 H28 O Si3
• Calculated formula: C15 H28 O Si3
• SMILES: C[Si]1(C)c2c(cc(c(c2)C(C)O)C)[Si](C)(C)[Si]1(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: 13.3164 ± 0.0013 Å
• b: 8.2981 ± 0.0008 Å
• c: 34.292 ± 0.003 Å
• α: 90°
• β: 93.436 ± 0.005°
• γ: 90°
• Cell volume: 3782.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No