Information card for entry 4080638

Structure parameters

• Formula: C24 H16 Si
• Calculated formula: C24 H16 Si
• SMILES: c1cccc2c3c([Si]4(c5ccccc5c5ccccc45)c12)cccc3
• 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: 8.5597 ± 0.0003 Å
• b: 8.5597 ± 0.0003 Å
• c: 23.7678 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1741.43 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No