Information card for entry 2215749

Structure parameters

• Chemical name: (2E)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: O=C(/C=C/c1ccc(OC)cc1)c1c(O)cccc1
• Title of publication: (2<i>E</i>)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Sarojini, B. K.; Yathirajan, H. S.; Mustafa, K.; Sarfraz, H.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4477 - o4477
• a: 25.4158 ± 0.0015 Å
• b: 3.9662 ± 0.0003 Å
• c: 12.6046 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1270.6 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes