Information card for entry 2239927

Structure parameters

• Chemical name: (<i>Z</i>)-2,3-Dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione
• Formula: C18 H14 Cl2 O4
• Calculated formula: C18 H14 Cl2 O4
• Title of publication: Crystal structure of (<i>Z</i>)-2,3-dichloro-1,4-bis(4-methoxyphenyl)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: 9
• Pages of publication: o1049 - o1050
• a: 8.877 ± 0.003 Å
• b: 9.914 ± 0.003 Å
• c: 10.294 ± 0.003 Å
• α: 90°
• β: 110.565 ± 0.005°
• γ: 90°
• Cell volume: 848.2 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes