Information card for entry 2008104

Structure parameters

• Chemical name: (2SR,5RR,6RR,9SR)-1,2,5,6,9,10-hexachlorodecane
• Formula: C10 H16 Cl6
• Calculated formula: C10 H16 Cl6
• SMILES: ClC[C@@H](CC[C@@H]([C@H](CC[C@H](CCl)Cl)Cl)Cl)Cl.ClC[C@H](CC[C@H]([C@@H](CC[C@@H](CCl)Cl)Cl)Cl)Cl
• Title of publication: The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane
• Authors of publication: Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: IUC9800079
• a: 10.794 ± 0.003 Å
• b: 5.054 ± 0.002 Å
• c: 27.143 ± 0.01 Å
• α: 90°
• β: 90.26 ± 0.05°
• γ: 90°
• Cell volume: 1480.7 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No