Information card for entry 1568057

Structure parameters

• Formula: C50 H34 Cl2 N4 O4
• Calculated formula: C50 H34 Cl2 N4 O4
• Title of publication: Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
• Authors of publication: Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 635 - 642
• a: 8.0994 ± 0.0003 Å
• b: 11.7159 ± 0.0008 Å
• c: 21.0793 ± 0.0012 Å
• α: 102.21 ± 0.005°
• β: 97.445 ± 0.004°
• γ: 96.128 ± 0.004°
• Cell volume: 1919.86 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No