Information card for entry 1572308

Structure parameters

• Chemical name: 4-(Benzyloxy)benzoic acid
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• Title of publication: Redetermined structure of 4-(benzyloxy)benzoic acid
• Authors of publication: Song, Qiuyi; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 8
• a: 10.0564 ± 0.0005 Å
• b: 3.9985 ± 0.0002 Å
• c: 28.2235 ± 0.0014 Å
• α: 90°
• β: 97.744 ± 0.005°
• γ: 90°
• Cell volume: 1124.53 ± 0.1 ų
• Cell temperature: 304.55 ± 0.1 K
• Ambient diffraction temperature: 304.55 ± 0.1 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: 0.0627
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No