Information card for entry 1561313

Structure parameters

• Chemical name: (2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: O(c1cc(ccc1OC)/C=C\1C(=O)c2c(CC1)cccc2)C
• Title of publication: (2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 3
• Pages of publication: x210309
• a: 7.9229 ± 0.0015 Å
• b: 9.4474 ± 0.0019 Å
• c: 20.875 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes