Information card for entry 4345761

Structure parameters

• Formula: C18 H10 F N2 O3
• Calculated formula: C16 H10 F N3 O3
• SMILES: Fc1ccc(cc1)C(=O)Nc1ccc(N(=O)=O)c2cccnc12
• Title of publication: From Surprising Solvothermal Reaction to Uncommon Zinc(II)-Catalyzed Aromatic C-H Activation Reaction for Direct Nitroquinoline Synthesis.
• Authors of publication: Wang, Yazhen; Yu, Feihu; Han, Xiao; Li, Ming; Tong, Yue; Ding, Jie; Hou, Hongwei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5953 - 5958
• a: 27.686 ± 0.003 Å
• b: 27.686 ± 0.003 Å
• c: 3.7678 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2888.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 294.99 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No