Information card for entry 2215030

Structure parameters

• Common name: p-Methylphenyl p-methylbenzoate
• Chemical name: 4-Methylphenyl 4-methylbenzoate
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: c1(ccc(cc1)C)OC(=O)c1ccc(cc1)C
• Title of publication: 4-Methylphenyl 4-methylbenzoate
• Authors of publication: B. Thimme Gowda; Sabine Foro; K. S. Babitha; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3867 - o3867
• a: 6.113 ± 0.001 Å
• b: 7.639 ± 0.001 Å
• c: 26.51 ± 0.003 Å
• α: 90°
• β: 95.42 ± 0.01°
• γ: 90°
• Cell volume: 1232.4 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes