Information card for entry 1553441

Structure parameters

• Formula: C71 H64 O24
• Calculated formula: C71 H64 O24
• Title of publication: Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling
• Authors of publication: Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 537
• a: 19.7803 ± 0.0006 Å
• b: 8.925 ± 0.0003 Å
• c: 17.1219 ± 0.0005 Å
• α: 90°
• β: 93.062 ± 0.001°
• γ: 90°
• Cell volume: 3018.37 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No