Information card for entry 4134593

Structure parameters

• Formula: C99 H79 Cl3 N2 O4
• Calculated formula: C99 H79 Cl3 N2 O4
• Title of publication: Perylene Diimide-Embedded Double [8]Helicenes.
• Authors of publication: Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.7158 ± 0.0001 Å
• b: 15.2504 ± 0.0003 Å
• c: 16.7377 ± 0.0003 Å
• α: 69.44 ± 0.002°
• β: 82.721 ± 0.002°
• γ: 80.783 ± 0.001°
• Cell volume: 1814.96 ± 0.06 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 169.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No