Information card for entry 2214898

Structure parameters

• Common name: p-Methoxyphenyl benzoate
• Chemical name: 4-Methoxyphenyl benzoate
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: c1(ccc(cc1)OC)OC(=O)c1ccccc1
• Title of publication: 4-Methoxyphenyl benzoate
• Authors of publication: B. Thimme Gowda; Sabine Foro; Roopa Nayak; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3507 - o3507
• a: 14.303 ± 0.001 Å
• b: 6.4799 ± 0.0007 Å
• c: 25.113 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.5 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes