Information card for entry 2221457

Structure parameters

• Chemical name: 4-(3-Methoxyphenoxy)butyric acid
• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• SMILES: O(CCCC(=O)O)c1cc(ccc1)OC
• Title of publication: 4-(3-Methoxyphenoxy)butyric acid
• Authors of publication: Heilmann-Brohl, Julia; Jaouen, Gérard; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o778
• a: 9.6509 ± 0.0006 Å
• b: 5.3998 ± 0.0004 Å
• c: 20.2033 ± 0.0013 Å
• α: 90°
• β: 90.822 ± 0.005°
• γ: 90°
• Cell volume: 1052.74 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes