Information card for entry 2223952

Structure parameters

• Chemical name: Phenyl 4-methylbenzoate
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• Title of publication: Phenyl 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: o2620
• a: 12.344 ± 0.0004 Å
• b: 8.1332 ± 0.0002 Å
• c: 12.1545 ± 0.0004 Å
• α: 90°
• β: 110.911 ± 0.004°
• γ: 90°
• Cell volume: 1139.89 ± 0.07 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: 0.0669
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes