Information card for entry 4345891

Structure parameters

• Formula: C26 H18 N4 O2
• Calculated formula: C26 H18 N4 O2
• SMILES: c1ccc2c(c(ccc2)NC(=O)c2ccc(C(=O)Nc3c4c(cccn4)ccc3)cc2)n1
• 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: 9.1433 ± 0.0018 Å
• b: 6.2477 ± 0.0012 Å
• c: 18.463 ± 0.006 Å
• α: 90°
• β: 105.55 ± 0.03°
• γ: 90°
• Cell volume: 1016.1 ± 0.5 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: 0.1233
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.3248
• Weighted residual factors for all reflections included in the refinement: 0.3554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No