Information card for entry 2224762

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl acetate
• Formula: C17 H16 Cl2 O4
• Calculated formula: C17 H16 Cl2 O4
• SMILES: Clc1c(C2=C(OC(=O)C)C3(OC2=O)CCCCC3)ccc(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl acetate
• Authors of publication: Zhao, Jin-hao; Zhou, Yong; Cheng, Jing-Li; Yu, Chuan-Ming; Zhu, Guo-Nian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o208
• a: 14.0705 ± 0.0005 Å
• b: 12.9731 ± 0.0004 Å
• c: 9.24 ± 0.0003 Å
• α: 90°
• β: 90.892 ± 0.001°
• γ: 90°
• Cell volume: 1686.45 ± 0.1 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes