Information card for entry 1553952

Structure parameters

• Formula: C24 H22 S6 Si2
• Calculated formula: C24 H22 S6 Si2
• SMILES: [Si](C)(C)(C)c1cc2c(s1)sc1c2sc2c1c1c(cc2)sc2c1sc1c2cc([Si](C)(C)C)s1
• 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: 31.277 ± 0.009 Å
• b: 16.691 ± 0.005 Å
• c: 10.668 ± 0.003 Å
• α: 90°
• β: 93.503 ± 0.006°
• γ: 90°
• Cell volume: 5559 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No