Information card for entry 4031714

Structure parameters

• Formula: C51.3 H47.3 Cl21.9 S14 Si5
• Calculated formula: C44 H40 S14 Si5
• SMILES: c12c(c3c(s1)sc1c3cc(s1)[Si](C)(C)C)Sc1c([Si]32c2c(c4c(s2)sc2c4cc(s2)[Si](C)(C)C)Sc2c3sc3c2c2c(s3)sc(c2)[Si](C)(C)C)sc2c1c1c(s2)sc(c1)[Si](C)(C)C
• 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: 11.792 ± 0.005 Å
• b: 13.295 ± 0.005 Å
• c: 44.329 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6950 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No