Information card for entry 2223628

Structure parameters

• Chemical name: 2,4-Dimethylphenyl 4-methylbenzoate
• Formula: C16 H16 O2
• Calculated formula: C16 H16 O2
• Title of publication: 2,4-Dimethylphenyl 4-methylbenzoate
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2599
• a: 11.8022 ± 0.0003 Å
• b: 7.4959 ± 0.0002 Å
• c: 15.6288 ± 0.0004 Å
• α: 90°
• β: 107.76 ± 0.003°
• γ: 90°
• Cell volume: 1316.76 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0551
• 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: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes