Information card for entry 4036782

Structure parameters

• Formula: C27 H31 Br S4 Si3
• Calculated formula: C27 H31 Br S4 Si3
• SMILES: Brc1c2c(sc1)c1c3sc([Si](C)(C)C)cc3c3c(sc([Si](C)(C)C)c3)c1c1sc([Si](C)(C)C)cc21
• Title of publication: Naphthotetrathiophene-Based Helicene-Like Molecules: Synthesis and Photophysical Properties.
• Authors of publication: Zhao, Xueqian; Zhang, Lipeng; Song, Jinsheng; Kan, Yuhe; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4856 - 4860
• a: 12.218 ± 0.015 Å
• b: 19.59 ± 0.02 Å
• c: 14.05 ± 0.017 Å
• α: 90°
• β: 108.61 ± 0.03°
• γ: 90°
• Cell volume: 3187 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1623
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No