Information card for entry 4113185

Structure parameters

• Formula: C22 H18 Br2 S7 Si2
• Calculated formula: C22 H18 Br2 S7 Si2
• SMILES: Brc1c([Si](C)(C)C)sc2sc3sc4sc5sc6sc7sc([Si](C)(C)C)c(Br)c7c6c5c4c3c12
• Title of publication: Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene
• Authors of publication: Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15211 - 15222
• a: 12.471 ± 0.003 Å
• b: 13.846 ± 0.003 Å
• c: 31.152 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5379 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No