Information card for entry 2230633

Structure parameters

• Chemical name: (2<i>E</i>)-2-Benzylidene-4-ethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: c12ccccc1C(=O)C(=C\c1ccccc1)\CC2CC
• Title of publication: (2<i>E</i>)-2-Benzylidene-4-ethyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Akhazzane, Mohamed; Zouihri, Hafid; Bennani, A. Kella; Kerbal, Abdelali; Al Houari, Ghali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1700
• a: 11.7997 ± 0.0008 Å
• b: 8.902 ± 0.0006 Å
• c: 13.9912 ± 0.0009 Å
• α: 90°
• β: 94.214 ± 0.004°
• γ: 90°
• Cell volume: 1465.68 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes