Information card for entry 4031715

Structure parameters

• Formula: C22 H22 S7 Si2
• Calculated formula: C22 H22 S7 Si2
• SMILES: s1c2scc(Sc3c4c5cc(sc5sc4sc3)[Si](C)(C)C)c2c2c1sc([Si](C)(C)C)c2
• 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: 12.846 ± 0.005 Å
• b: 10.521 ± 0.004 Å
• c: 20.355 ± 0.007 Å
• α: 90°
• β: 103.438 ± 0.006°
• γ: 90°
• Cell volume: 2675.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No