Information card for entry 4080639

Structure parameters

• Formula: C48 H32 Si
• Calculated formula: C48 H32 Si
• SMILES: [Si]12(c3c(cc(cc3c3ccccc3)c3ccccc3)c3c1cccc3)c1c(cc(cc1c1ccccc1)c1ccccc1)c1c2cccc1
• 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: 9.6128 ± 0.0013 Å
• b: 10.4695 ± 0.001 Å
• c: 17.023 ± 0.0015 Å
• α: 99.632 ± 0.007°
• β: 91.463 ± 0.01°
• γ: 93.566 ± 0.005°
• Cell volume: 1684.7 ± 0.3 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: 0.045
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No