Information card for entry 4113186

Structure parameters

• Formula: C43 H55 Br6 Cl3 S9 Si6
• Calculated formula: C43 H55 Br6 Cl3 S9 Si6
• SMILES: Brc1c2c(sc1[Si](C)(C)C)Sc1sc([Si](C)(C)C)c(Br)c1c1c(sc([Si](C)(C)C)c1Br)Sc1sc([Si](C)(C)C)c(Br)c1c1c(sc([Si](C)(C)C)c1Br)Sc1sc([Si](C)(C)C)c(Br)c21.C(Cl)(Cl)Cl
• 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: 9.7758 ± 0.0002 Å
• b: 26.2874 ± 0.0006 Å
• c: 26.0709 ± 0.0006 Å
• α: 90°
• β: 100.202 ± 0.001°
• γ: 90°
• Cell volume: 6593.8 ± 0.3 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No