Information card for entry 4084961

Structure parameters

• Chemical name: 1,1-diphenyl-2-methyl-1-silaindene
• Formula: C21 H18 Si
• Calculated formula: C21 H18 Si
• SMILES: [Si]1(c2c(cccc2)C=C1C)(c1ccccc1)c1ccccc1
• Title of publication: B(C6F5)3-Catalyzed Synthesis of Benzofused-Siloles
• Authors of publication: Curless, Liam D.; Ingleson, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7241
• a: 18.6476 ± 0.001 Å
• b: 9.6898 ± 0.0004 Å
• c: 19.1479 ± 0.0011 Å
• α: 90°
• β: 108.925 ± 0.006°
• γ: 90°
• Cell volume: 3272.8 ± 0.3 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.103
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No