Information card for entry 2233848

Structure parameters

• Chemical name: (2<i>E</i>)-2-(4-Methoxybenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one
• Formula: C17 H14 O2
• Calculated formula: C17 H14 O2
• SMILES: O=C1c2ccccc2CC\1=C/c1ccc(OC)cc1
• Title of publication: (2<i>E</i>)-2-(4-Methoxybenzylidene)-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o815
• a: 15.1177 ± 0.001 Å
• b: 3.9322 ± 0.0003 Å
• c: 20.7072 ± 0.0013 Å
• α: 90°
• β: 94.615 ± 0.006°
• γ: 90°
• Cell volume: 1226.97 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes