Information card for entry 2227800

Structure parameters

• Chemical name: (<i>E</i>)-2,2-Dimethyl-5-(3-phenylallylidene)-1,3-dioxane-4,6-dione
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: O1C(=O)C(=C\C=C\c2ccccc2)C(=O)OC1(C)C
• Title of publication: (<i>E</i>)-2,2-Dimethyl-5-(3-phenylallylidene)-1,3-dioxane-4,6-dione
• Authors of publication: Zeng, Wu-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2943
• a: 6.9171 ± 0.0014 Å
• b: 7.0961 ± 0.0014 Å
• c: 13.732 ± 0.003 Å
• α: 94.79 ± 0.03°
• β: 90.79 ± 0.03°
• γ: 98.31 ± 0.03°
• Cell volume: 664.4 ± 0.2 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: 0.0637
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes