Information card for entry 1568056

Structure parameters

• Formula: C18 H15 N2 O2
• Calculated formula: C18 H15 N2 O2
• 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: 20.1187 ± 0.0009 Å
• b: 16.7884 ± 0.0009 Å
• c: 8.3834 ± 0.0003 Å
• α: 90°
• β: 102.468 ± 0.004°
• γ: 90°
• Cell volume: 2764.8 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No