Information card for entry 2235376

Structure parameters

• Chemical name: 2-[(<i>E</i>)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O=C1c2ccccc2CC/C1=C\c1ccc(OC)cc1
• Title of publication: 2-[(<i>E</i>)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Zayed, Mohie E. M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2190
• a: 6.8289 ± 0.0004 Å
• b: 14.7444 ± 0.0008 Å
• c: 26.7258 ± 0.0014 Å
• α: 90°
• β: 93.757 ± 0.005°
• γ: 90°
• Cell volume: 2685.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes