Information card for entry 2240790

Structure parameters

• Chemical name: (<i>E</i>)-4-Ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-\ one
• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• SMILES: C1(=O)c2ccccc2C(C/C1=C\c1ccc(cc1)OC)CC
• Title of publication: Crystal structure of (<i>E</i>)-4-ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Akhazzane, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o432
• a: 12.0411 ± 0.0013 Å
• b: 8.9698 ± 0.0009 Å
• c: 15.5832 ± 0.0018 Å
• α: 90°
• β: 110.721 ± 0.003°
• γ: 90°
• Cell volume: 1574.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes