Information card for entry 2230478

Structure parameters

• Chemical name: (2<i>E</i>)-3-[3-(Benzyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C22 H18 O3
• Calculated formula: C22 H18 O3
• SMILES: O(Cc1ccccc1)c1ccc(cc1)/C=C/C(=O)c1ccccc1O
• Title of publication: (2<i>E</i>)-3-[3-(Benzyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1313 - o1314
• a: 6.6343 ± 0.0001 Å
• b: 35.7706 ± 0.0005 Å
• c: 8.1537 ± 0.0001 Å
• α: 90°
• β: 121.879 ± 0.001°
• γ: 90°
• Cell volume: 1643.12 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0566
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes