Information card for entry 2234727

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate
• Formula: C19 H18 Cl2 O4
• Calculated formula: C19 H18 Cl2 O4
• SMILES: Clc1ccc(C2=C(OC(=O)C(=C)C)C3(OC2=O)CCCCC3)c(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate
• Authors of publication: Kong, Fan-rui; Wang, Qiang; Xu, Liang-zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1531
• a: 10.759 ± 0.001 Å
• b: 11.8778 ± 0.0011 Å
• c: 15.013 ± 0.0015 Å
• α: 90°
• β: 107.047 ± 0.004°
• γ: 90°
• Cell volume: 1834.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes