Information card for entry 1513324

Structure parameters

• Common name: compd-2
• Formula: C46 H40 S12 Si2
• Calculated formula: C46 H40 S12 Si4
• SMILES: [Si](c1sc2sc3sc4c(c3c2c1)c1c(sc2sc3sc([Si](C)(C)C)cc3c12)c1c4c2sc3sc4sc([Si](C)(C)C)cc4c3c2c2c1sc1sc3sc([Si](C)(C)C)cc3c21)(C)(C)C
• Title of publication: Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene
• Authors of publication: Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua
• Journal of publication: Organic Letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 456 - 459
• a: 16.816 ± 0.003 Å
• b: 16.811 ± 0.003 Å
• c: 38.298 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10827 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1503372
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No