Information card for entry 2218652

Structure parameters

• Chemical name: 2,4-Dimethylphenyl benzoate
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• Title of publication: 2,4-Dimethylphenyl benzoate
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Babitha, K. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1280
• a: 7.9813 ± 0.0002 Å
• b: 14.326 ± 0.0003 Å
• c: 11.0932 ± 0.0002 Å
• α: 90°
• β: 94.028 ± 0.002°
• γ: 90°
• Cell volume: 1265.26 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes