Information card for entry 4069636

Structure parameters

• Formula: C12 H18 O2 Si2
• Calculated formula: C12 H18 O2 Si2
• SMILES: C[Si]1(C)c2c(ccc(c2)C(=O)C)[Si](C)(C)O1
• Title of publication: Disila-Phantolide and Derivatives: Synthesis and Olfactory Characterization of Silicon-Containing Derivatives of the Musk Odorant Phantolide§
• Authors of publication: Metz, Stefan; Nätscher, Jennifer B.; Burschka, Christian; Götz, Kathrin; Kaupp, Martin; Kraft, Philip; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4700
• a: 14.234 ± 0.003 Å
• b: 8.4211 ± 0.0017 Å
• c: 12.165 ± 0.002 Å
• α: 90°
• β: 94.99 ± 0.03°
• γ: 90°
• Cell volume: 1452.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No