Information card for entry 2228299

Structure parameters

• Chemical name: 2-(4-Methoxybenzylidene)-4,4-dimethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• SMILES: C1(=O)c2c(C(C/C1=C\c1ccc(cc1)OC)(C)C)cccc2
• Title of publication: 2-(4-Methoxybenzylidene)-4,4-dimethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Akhazzane, Mohamed; Zouihri, Hafid; Daran, Jean-Claude; Kerbal, Abdelali; Al Houari, Ghali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3067
• a: 11.8587 ± 0.0003 Å
• b: 8.7536 ± 0.0002 Å
• c: 14.9392 ± 0.0004 Å
• α: 90°
• β: 96.527 ± 0.001°
• γ: 90°
• Cell volume: 1540.73 ± 0.07 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Cell measurement pressure: 101 kPa
• 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: 0.046
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes