Information card for entry 2240969

Structure parameters

• Chemical name: (<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
• Formula: C22 H20 O5
• Calculated formula: C22 H20 O5
• SMILES: Oc1c(C(=O)/C=C/c2c(OC)c(OC)c(cc2)OC)ccc2c1cccc2
• Title of publication: Crystal structure of (<i>E</i>)-1-(1-hydroxynaphthalen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Anbalagan, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o610 - o611
• a: 8.4523 ± 0.0008 Å
• b: 14.0414 ± 0.0012 Å
• c: 15.1672 ± 0.0011 Å
• α: 90°
• β: 94.623 ± 0.003°
• γ: 90°
• Cell volume: 1794.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0766
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes