Information card for entry 2210060

Structure parameters

• Chemical name: 2-Phenylquinoline 1-oxide
• Formula: C15 H11 N O
• Calculated formula: C15 H11 N O
• SMILES: O=n1c(ccc2ccccc12)c1ccccc1
• Title of publication: 2-Phenylquinoline 1-oxide
• Authors of publication: Henrik Fahlquist; Peter C. Healy; David J. Young; Edward R. T. Tiekink
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3805 - o3807
• a: 7.754 ± 0.003 Å
• b: 21.436 ± 0.006 Å
• c: 6.603 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes