Information card for entry 7132084

Structure parameters

• Formula: C83 H74 N2 O4
• Calculated formula: C83.0035 H74.004 N2 O4
• Title of publication: Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides
• Authors of publication: Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 16.5447 ± 0.0014 Å
• b: 18.7892 ± 0.0016 Å
• c: 23.3659 ± 0.0019 Å
• α: 82.92 ± 0.004°
• β: 83.513 ± 0.004°
• γ: 77.185 ± 0.004°
• Cell volume: 7001.1 ± 1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No