Information card for entry 7120192

Structure parameters

• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• Title of publication: A Facile Approach toward 1,2-Diazabenzo[ghi]perylene Derivatives: Structures and Electronic Properties
• Authors of publication: wei, haipeng; Qiu, Tiancheng; Huang, Xiaobo; Zhou, Jun; Guo, Jing; Jiang, Chuanling; Luo, Sheng-lian; Zeng, Zebing; Wu, Jishan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.6 ± 0.006 Å
• b: 19.578 ± 0.008 Å
• c: 15.071 ± 0.006 Å
• α: 90°
• β: 103.371 ± 0.009°
• γ: 90°
• Cell volume: 4478 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1929
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No