Information card for entry 7130842

Structure parameters

• Formula: C22 H15 N3 O2
• Calculated formula: C22 H15 N3 O2
• SMILES: O=C1N(C(=O)c2c3c(ccc2)C(c2c3c1ccc2)=C(C#N)C#N)CCCC
• Title of publication: A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives
• Authors of publication: Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.224 ± 0.0009 Å
• b: 43.467 ± 0.004 Å
• c: 7.785 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3459.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No