Information card for entry 4080641

Structure parameters

• Formula: C36 H26 Si
• Calculated formula: C36 H26 Si
• SMILES: [Si]1(c2ccccc2c2c1c(cc(c2)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes
• Authors of publication: Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2529
• a: 10.718 ± 0.004 Å
• b: 19.313 ± 0.007 Å
• c: 13.299 ± 0.005 Å
• α: 90°
• β: 101.05 ± 0.016°
• γ: 90°
• Cell volume: 2701.8 ± 1.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No