Information card for entry 2242934

Structure parameters

• Chemical name: (<i>E</i>)-2-(2,4,6-Trimethylbenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C20 H20 O
• Calculated formula: C20 H20 O
• SMILES: O=C1c2c(CCC\1=C/c1c(cc(cc1C)C)C)cccc2
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Baydere, Cemile; Taşçı, Merve; Dege, Necmi; Arslan, Mustafa; Atalay, Yusuf; Golenya, Irina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 746 - 750
• a: 8.728 ± 0.002 Å
• b: 8.757 ± 0.002 Å
• c: 12.094 ± 0.003 Å
• α: 77.768 ± 0.019°
• β: 80.822 ± 0.019°
• γ: 61.929 ± 0.018°
• Cell volume: 795.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1695
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes