Information card for entry 2223407

Structure parameters

• Chemical name: (<i>Z</i>)-3-(3-Phenylallylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: O1C(=O)C(=C/C=C/c2ccccc2)C(=O)OC21CCCCC2
• Title of publication: (<i>Z</i>)-3-(3-Phenylallylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Authors of publication: Zeng, Wu-Lan; Zhang, Hua-Xiang; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2586
• a: 7.1177 ± 0.0014 Å
• b: 9.5506 ± 0.0019 Å
• c: 11.734 ± 0.002 Å
• α: 106.82 ± 0.03°
• β: 100.14 ± 0.03°
• γ: 93.35 ± 0.03°
• Cell volume: 746.5 ± 0.3 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: 0.0629
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes