Information card for entry 4120093

Structure parameters

• Formula: C30 H32 Si
• Calculated formula: C30 H32 Si
• SMILES: [SiH2](c1ccccc1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
• Authors of publication: Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10353 - 10361
• a: 8.9511 ± 0.0002 Å
• b: 21.8952 ± 0.0004 Å
• c: 12.54 ± 0.0003 Å
• α: 90°
• β: 90.691 ± 0.001°
• γ: 90°
• Cell volume: 2457.49 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0807
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No