Information card for entry 4000258

Structure parameters

• Formula: C40 H30 Si
• Calculated formula: C40 H30 Si
• SMILES: c1ccc(cc1)C1=C(c2ccccc2)[Si](C(=C1c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 9.527 ± 0.004 Å
• b: 10.043 ± 0.004 Å
• c: 16.308 ± 0.006 Å
• α: 77.15 ± 0.007°
• β: 79.58 ± 0.007°
• γ: 71.981 ± 0.007°
• Cell volume: 1435.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No