Information card for entry 4069635

Structure parameters

• Formula: C14 H20 O Si2
• Calculated formula: C14 H20 O Si2
• SMILES: [Si]1(C)(C)C(=C)[Si](C)(C)c2c1cc(cc2)C(=O)C
• 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: 8.402 ± 0.0003 Å
• b: 12.1888 ± 0.0005 Å
• c: 15.7181 ± 0.0007 Å
• α: 72.813 ± 0.002°
• β: 82.68 ± 0.002°
• γ: 89.953 ± 0.002°
• Cell volume: 1524.13 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No