Information card for entry 8107065

Structure parameters

• Formula: C17 H15 Cl3 N2 O4
• Calculated formula: C17 H15 Cl3 N2 O4
• Title of publication: Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4
• Authors of publication: Li, Xu; Li, Na; Zhao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 967 - 968
• a: 32.98 ± 0.002 Å
• b: 24.6827 ± 0.0018 Å
• c: 4.4872 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3652.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No