Information card for entry 2233963

Structure parameters

• Chemical name: (2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1<i>H</i>- inden-1-one
• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• SMILES: O=C1c2ccccc2CC/1=C\C=C\c1ccccc1
• Title of publication: (2<i>E</i>)-2-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]-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: o814
• a: 29.192 ± 0.004 Å
• b: 3.911 ± 0.0003 Å
• c: 11.2025 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes