Information card for entry 1559222

Structure parameters

• Common name: 1,2,3,4,6,7-Hexachloronaphthalene
• Formula: C10 H2 Cl6
• Calculated formula: C10 H2 Cl6
• SMILES: Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2cc1Cl
• Title of publication: Synthesis and Crystallography of 1,2,3,4,6,7-Hexachloronaphthalene and 1,2,3,5,6,7-Hexachloronaphthalene
• Authors of publication: Jakobsson, Eva; Eriksson, Lars; Bergman, Ake
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 527 - 532
• a: 14.71 ± 0.02 Å
• b: 3.828 ± 0.004 Å
• c: 20.45 ± 0.03 Å
• α: 90°
• β: 97.8 ± 0.1°
• γ: 90°
• Cell volume: 1141 ± 3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.062
• Weighted residual factors for significantly intense reflections: 0.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No