Information card for entry 2230951

Structure parameters

• Chemical name: (<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholinoprop-2-en-1-one
• Formula: C21 H22 F N O4
• Calculated formula: C21 H22 F N O4
• SMILES: Fc1ccc(/C(=C/C(=O)N2CCOCC2)c2cc(OC)c(OC)cc2)cc1
• Title of publication: (<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholinoprop-2-en-1-one
• Authors of publication: Chai, Baoshan; Liu, Changling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1780
• a: 6.4963 ± 0.0018 Å
• b: 13.306 ± 0.004 Å
• c: 20.89 ± 0.006 Å
• α: 90°
• β: 95.651 ± 0.004°
• γ: 90°
• Cell volume: 1797 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.077
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes