Information card for entry 4126376

Structure parameters

• Common name: 8b
• Formula: C41.39 H45.39 Cl1.17 O2
• Calculated formula: C41.393 H45.393 Cl1.179 O2
• Title of publication: Chiral Peropyrene: Synthesis, Structure, and Properties.
• Authors of publication: Yang, Wenlong; Longhi, Giovanna; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Villani, Claudio; Catalano, Vincent J.; Lykhin, Aleksandr O.; Varganov, Sergey A.; Chalifoux, Wesley A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 35.077 ± 0.002 Å
• b: 8.5903 ± 0.0006 Å
• c: 24.2885 ± 0.0016 Å
• α: 90°
• β: 106.593 ± 0.001°
• γ: 90°
• Cell volume: 7013.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No