Information card for entry 1558573

Structure parameters

• Common name: 1,2,4,5,7,8-Hexachloronaphthalene
• Formula: C10 H2 Cl6
• Calculated formula: C10 Cl6
• SMILES: Clc1cc(Cl)c(Cl)c2c(Cl)c(Cl)cc(Cl)c12
• Title of publication: Synthesis and Crystallography of Two Hexachloronaphthalenes. Part II. 1,2,4,5,6,8-Hexachloronaphthalene and 1,2,4,5,7,8-Hexachloronaphthalene
• Authors of publication: Jakobsson, Eva; Lonnberg, Cecilia; Eriksson, Lars
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 891 - 898
• a: 18.553 ± 0.013 Å
• b: 3.882 ± 0.002 Å
• c: 31.55 ± 0.02 Å
• α: 90°
• β: 94.74 ± 0.05°
• γ: 90°
• Cell volume: 2265 ± 2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.435
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No