Information card for entry 1553953

Structure parameters

• Formula: C22 H20 S7 Si2
• Calculated formula: C22 H20 S7 Si2
• SMILES: s1c([Si](C)(C)C)cc2sc3sc4sc5sc6sc7c(sc([Si](C)(C)C)c7)c6c5c4c3c12
• Title of publication: Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene
• Authors of publication: Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1257
• a: 19.71 ± 0.004 Å
• b: 13.215 ± 0.003 Å
• c: 10.489 ± 0.002 Å
• α: 90°
• β: 103.753 ± 0.003°
• γ: 90°
• Cell volume: 2653.7 ± 1 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: 0.0446
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No