Information card for entry 2208787

Structure parameters

• Chemical name: 4-Methoxy-3-methylbenzophenone
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: O=C(c1cc(c(OC)cc1)C)c1ccccc1
• Title of publication: 4-Methoxy-3-methylbenzophenone
• Authors of publication: Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Anilkumar, H. G.; Basavaraju, Y. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1749 - o1750
• a: 8.582 ± 0.002 Å
• b: 11.314 ± 0.003 Å
• c: 24.941 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2421.7 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes