Information card for entry 4031713

Structure parameters

• Formula: C46.5 H42.5 Cl7.5 S14 Si5
• Calculated formula: C46.5 H42.5 Cl7.5 S14 Si5
• SMILES: [Si]12(c3c4c5cc([Si](C)(C)C)sc5sc4sc3Sc3sc4sc5sc([Si](C)(C)C)cc5c4c13)c1c3c4cc([Si](C)(C)C)sc4sc3sc1Sc1sc3sc4sc([Si](C)(C)C)cc4c3c21.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.
• Authors of publication: Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 21
• Pages of publication: 11156 - 11161
• a: 21.032 ± 0.003 Å
• b: 29.029 ± 0.005 Å
• c: 21.783 ± 0.003 Å
• α: 90°
• β: 93.949 ± 0.003°
• γ: 90°
• Cell volume: 13268 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2095
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No