Information card for entry 4003625

Structure parameters

• Formula: C132 H158 N2 O6
• Calculated formula: C132 H158 N2 O6
• Title of publication: 1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
• Authors of publication: Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 14.8795 ± 0.0004 Å
• b: 15.7293 ± 0.0004 Å
• c: 15.7945 ± 0.0004 Å
• α: 71.769 ± 0.001°
• β: 62.062 ± 0.001°
• γ: 87.071 ± 0.001°
• Cell volume: 3081.71 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No