Information card for entry 2001241

Structure parameters

• Formula: C14 Cl12
• Calculated formula: C14 Cl12
• SMILES: ClC(=C(Cl)/c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)/c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
• Title of publication: (<i>Z</i>)-Perchlorostilbene
• Authors of publication: Gano, J. E.; Skrzypczak-Jankun, E.; Kirschbaum, K.; Lenoir, D.; Frank, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1985 - 1988
• a: 8.961 ± 0.001 Å
• b: 8.979 ± 0.002 Å
• c: 13.92 ± 0.002 Å
• α: 91.12 ± 0.02°
• β: 97.66 ± 0.01°
• γ: 114.75 ± 0.02°
• Cell volume: 1004.5 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No