Information card for entry 7059353

Structure parameters

• Chemical name: (E)-1-methyl-2, 3, 4, 5-tetraphenyl-1-(4-(1, 2, 2-triphenylvinyl)styryl)-1H-silole
• Formula: C61 H52 O Si
• Calculated formula: C57 H44 Si
• SMILES: [Si]1(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)(C)/C=C/c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Aggregation-tuned dual emission of silole derivatives: synthesis, crystal structure, and photophysical properties
• Authors of publication: Cao, Ruiqi; Ai, Liqing; Yang, Hongxia; Li, Shuhong; Xu, Caihong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 5049 - 5055
• a: 11.17 ± 0.002 Å
• b: 12.894 ± 0.003 Å
• c: 17.928 ± 0.004 Å
• α: 73.46 ± 0.03°
• β: 73.56 ± 0.03°
• γ: 76.03 ± 0.03°
• Cell volume: 2337.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No