Information card for entry 1559224

Structure parameters

• Common name: 2,3-Dichloro-4,5-dimethoxy-1-(2,3,4-trichloro-6-methoxyphenoxy)benzene
• Formula: C15 H11 Cl5 O4
• Calculated formula: C15 Cl5 O4
• SMILES: Clc1c(Oc2c(Cl)c(Cl)c(OC)c(OC)c2)c(OC)cc(Cl)c1Cl
• Title of publication: Crystal and Molecular Structure of 2,3-Dichloro-4,5-dimethoxy-1-(2,3,4-trichloro-6-methoxyphenoxy)benzene: a Derivative of the Oxidative Coupling Product of 4,5,6-Trichloroguaiacol
• Authors of publication: Arnoldsson, K. C.; Eriksson, L.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 593 - 595
• a: 8.811 ± 0.004 Å
• b: 8.41 ± 0.004 Å
• c: 24.67 ± 0.01 Å
• α: 90°
• β: 99.91 ± 0.03°
• γ: 90°
• Cell volume: 1800.8 ± 1.4 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.89
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No