Information card for entry 2235946

Structure parameters

• Chemical name: 6-[4-(Diphenylamino)phenyl]quinoline 1-oxide
• Formula: C27 H20 N2 O
• Calculated formula: C27 H20 N2 O
• SMILES: O=n1c2c(cc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1
• Title of publication: 6-[4-(Diphenylamino)phenyl]quinoline 1-oxide
• Authors of publication: Wang, Li-Zhi; Chi, Yun; Li, Xiang-Xiang; Guan, Jian-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2543
• a: 16.774 ± 0.003 Å
• b: 9.613 ± 0.0019 Å
• c: 13.253 ± 0.003 Å
• α: 90°
• β: 107.05 ± 0.03°
• γ: 90°
• Cell volume: 2043.1 ± 0.8 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: 0.1026
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes