Information card for entry 2210638

Structure parameters

• Chemical name: 4-(quinolin-8-yloxy)butanoic acid
• Formula: C13 H13 N O3
• Calculated formula: C13 H13 N O3
• SMILES: n1cccc2cccc(OCCCC(=O)O)c12
• Title of publication: 4-(Quinolin-8-yloxy)butanoic acid
• Authors of publication: Ze-Bao Zheng; Ji-Kun Li; Ren-Tao Wu; Yi-Feng Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4611 - o4612
• a: 10.1256 ± 0.0005 Å
• b: 8.0371 ± 0.0004 Å
• c: 14.9993 ± 0.0007 Å
• α: 90°
• β: 107.336 ± 0.002°
• γ: 90°
• Cell volume: 1165.2 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes