Information card for entry 2231287

Structure parameters

• Chemical name: 5,5'-[(2,4-Dichlorophenyl)methylene]bis(2,2-dimethyl-1,3-dioxane-4,6-dione)
• Formula: C19 H18 Cl2 O8
• Calculated formula: C19 H18 Cl2 O8
• SMILES: Clc1c(C(C2C(=O)OC(OC2=O)(C)C)C2C(=O)OC(OC2=O)(C)C)ccc(Cl)c1
• Title of publication: 5,5'-[(2,4-Dichlorophenyl)methylene]bis(2,2-dimethyl-1,3-dioxane-4,6-dione)
• Authors of publication: Zeng, Wu-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1894
• a: 7.9522 ± 0.0006 Å
• b: 11.5145 ± 0.0011 Å
• c: 22.0939 ± 0.0019 Å
• α: 90°
• β: 100.201 ± 0.001°
• γ: 90°
• Cell volume: 1991.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0965
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes