Information card for entry 4003698

Structure parameters

• Formula: C36 H20 N4 O4
• Calculated formula: C36 H20 N4 O4
• Title of publication: Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups
• Authors of publication: Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 7.7598 ± 0.0004 Å
• b: 4.7937 ± 0.0003 Å
• c: 35.5839 ± 0.0019 Å
• α: 90°
• β: 94.412 ± 0.007°
• γ: 90°
• Cell volume: 1319.73 ± 0.13 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 4
• 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: 0.1715
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No