Information card for entry 1569531

Structure parameters

• Chemical name: 3-Methyl-2-(4-methylphenoxy)benzoic acid
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• Title of publication: 3-Methyl-2-(4-methylphenoxy)benzoic acid
• Authors of publication: Lu, Kangkang; Long, Sihui
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• a: 8.95081 ± 0.00017 Å
• b: 6.5411 ± 0.00015 Å
• c: 21.9729 ± 0.0004 Å
• α: 90°
• β: 91.2391 ± 0.0018°
• γ: 90°
• Cell volume: 1286.17 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No