Information card for entry 4066928

Structure parameters

• Formula: C19 H35 B O2 Si3
• Calculated formula: C19 H35 B O2 Si3
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc2c(cc1C)[Si](C)(C)[Si](C)(C)[Si]2(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: 9.9177 ± 0.0017 Å
• b: 11.9574 ± 0.0012 Å
• c: 10.3355 ± 0.0016 Å
• α: 90°
• β: 98.14 ± 0.02°
• γ: 90°
• Cell volume: 1213.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.127
• 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