Information card for entry 2214503

Structure parameters

• Chemical name: (2E)-1-(3-Hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: Oc1cc(ccc1)C(=O)/C=C/c1ccc(cc1)C
• Title of publication: (2<i>E</i>)-1-(3-Hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Lakshmana, K.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3660 - o3660
• a: 7.6363 ± 0.0005 Å
• b: 11.0786 ± 0.0005 Å
• c: 15.2355 ± 0.0008 Å
• α: 90°
• β: 104.038 ± 0.006°
• γ: 90°
• Cell volume: 1250.42 ± 0.12 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 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: 0.1053
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes