Information card for entry 2239755

Structure parameters

• Common name: Z-1,4-dione
• Chemical name: (<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione
• Formula: C16 H8 Cl4 O2
• Calculated formula: C16 H8 Cl4 O2
• SMILES: c1(ccc(cc1)Cl)C(=O)C(=C(C(=O)c1ccc(cc1)Cl)\Cl)\Cl
• Title of publication: (<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione
• Authors of publication: Tittal, Ram K.; Kumar, Satish; Ram, R. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o861 - o862
• a: 19.065 ± 0.002 Å
• b: 28.668 ± 0.004 Å
• c: 11.88 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6493.1 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes