Information card for entry 2237890

Structure parameters

• Chemical name: (<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: COCOc1cc(OCOC)cc(c1C(=O)/C=C/c1ccccc1)O
• Title of publication: (<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
• Authors of publication: Niu, Chao; Liu, Y. Q.; He, Y. W.; Aisa, H. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o715
• a: 8.7791 ± 0.0002 Å
• b: 9.7807 ± 0.0002 Å
• c: 20.2209 ± 0.0004 Å
• α: 90°
• β: 96.792 ± 0.002°
• γ: 90°
• Cell volume: 1724.1 ± 0.06 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.0618
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes