Information card for entry 7151725

Structure parameters

• Formula: C20 H16 Si
• Calculated formula: C20 H16 Si
• SMILES: [Si]1(c2c3c(ccc2)c2c(c4c3c1ccc4)cccc2)(C)C
• Title of publication: Synthesis, structures and optical properties of trisilasumanene and its related compounds.
• Authors of publication: Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1731 - 1735
• a: 8.3831 ± 0.001 Å
• b: 11.7677 ± 0.0015 Å
• c: 15.012 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No