Information card for entry 2203791

Structure parameters

• Formula: C10 H9 Cl9
• Calculated formula: C10 H9 Cl9
• SMILES: ClC[C@]1(C(Cl)Cl)[C@@H]2[C@@H]([C@H]([C@]1(CC2(Cl)Cl)C(Cl)Cl)Cl)Cl
• Title of publication: An enantiomerically pure potential toxaphene congener: (1<i>R</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)-2-<i>endo</i>,3-<i>exo</i>,5,5-tetrachloro-7-(chloromethyl)-1,7-bis(dichloromethyl)bicyclo[2.2.1]heptane
• Authors of publication: Hansen, Lars Kr.; Kallenborn, Roland; Kiprianova, Anastasia; Nikiforov, Vladimir; Trukhin, Alexey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1089 - o1091
• a: 14.891 ± 0.003 Å
• b: 13.416 ± 0.003 Å
• c: 15.936 ± 0.003 Å
• α: 90°
• β: 91.781 ± 0.016°
• γ: 90°
• Cell volume: 3182.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes