Information card for entry 2212322

Structure parameters

• Chemical name: 2-(Quinolin-8-yloxy)benzoic acid
• Formula: C16 H11 N O3
• Calculated formula: C16 H11 N O3
• SMILES: O=C(O)c1ccccc1Oc1c2ncccc2ccc1
• Title of publication: 2-(Quinolin-8-yloxy)benzoic acid
• Authors of publication: Chen, Qing; Qin, Jiang-Ke; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o453 - o454
• a: 8.2123 ± 0.0005 Å
• b: 10.2704 ± 0.0006 Å
• c: 15.6104 ± 0.0009 Å
• α: 84.265 ± 0.001°
• β: 85.629 ± 0.001°
• γ: 69.425 ± 0.001°
• Cell volume: 1225.29 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes