Information card for entry 2200875

Structure parameters

• Chemical name: 1-(4-Hydroxyphenyl)-3-phenyl-2-propenal
• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• SMILES: O=C(c1ccc(O)cc1)/C=C/c1ccccc1
• Title of publication: 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one
• Authors of publication: Parthasarathi, V.; Praveen, V. N.; Thamotharan, S.; Vijayalakshmi, L.; Bhaskar, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o86 - o87
• a: 8.4663 ± 0.001 Å
• b: 22.384 ± 0.002 Å
• c: 12.216 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes