Information card for entry 4113182

Structure parameters

• Common name: 01013b
• Formula: C29 H37 Br4 Cl3 S6 Si4
• Calculated formula: C29 H37 Br4 Cl3 S6 Si4
• 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: 19.699 ± 0.002 Å
• b: 13.0798 ± 0.0015 Å
• c: 17.734 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4569.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No