Information card for entry 2235691

Structure parameters

• Chemical name: 5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one
• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: O=C1C=C(CC(C1)c1ccc(cc1)C)c1ccccc1
• Title of publication: 5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one
• Authors of publication: Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; Allah, Omyma A. A. Abd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2157
• a: 17.085 ± 0.004 Å
• b: 5.6807 ± 0.0011 Å
• c: 15.689 ± 0.003 Å
• α: 90°
• β: 113.152 ± 0.004°
• γ: 90°
• Cell volume: 1400.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes