Information card for entry 2203120

Structure parameters

• Chemical name: syn-Bis(2,4,6-trichlorophenyl) 2-ethylmalonate
• Formula: C17 H10 Cl6 O4
• Calculated formula: C17 H10 Cl6 O4
• SMILES: C(=O)(Oc1c(Cl)cc(Cl)cc1Cl)C(CC)C(=O)Oc1c(Cl)cc(Cl)cc1Cl
• Title of publication: Bis(2,4,6-trichlorophenyl) 2-ethylmalonate
• Authors of publication: Wentrup, Curt; Buchanan, Jeff; Karl A. Byriel; Colin H.L. Kennard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o137 - o138
• a: 7.648 ± 0.003 Å
• b: 8.532 ± 0.002 Å
• c: 16.947 ± 0.006 Å
• α: 91.41 ± 0.02°
• β: 92.98 ± 0.02°
• γ: 112.26 ± 0.02°
• Cell volume: 1020.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes