Information card for entry 4024899

Structure parameters

• Formula: C48 H62 Br2 S5
• Calculated formula: C48 H62 Br2 S5
• Title of publication: Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization
• Authors of publication: Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7504 - 7513
• a: 9.9503 ± 0.0011 Å
• b: 12.8178 ± 0.0015 Å
• c: 18.659 ± 0.002 Å
• α: 86.056 ± 0.003°
• β: 78.703 ± 0.003°
• γ: 80.682 ± 0.003°
• Cell volume: 2301.2 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No