Information card for entry 2011542

Structure parameters

• Formula: C26 H20 Cl4 N2 O6
• Calculated formula: C26 H20 Cl4 N2 O6
• SMILES: Clc1c(Cl)c(Cl)c(Cl)c(C(=O)O)c1C(=O)O.O=C(N)/C=C/c1ccccc1.O=C(N)/C=C/c1ccccc1
• Title of publication: 4,5-Dichlorophthalic acid‒<i>trans</i>-cinnamamide(1/2) and 3,4,5,6-tetrachlorophthalic acid‒<i>trans</i>-cinnamamide(1/2)
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e509 - e510
• a: 9.937 ± 0.002 Å
• b: 15.895 ± 0.004 Å
• c: 9.015 ± 0.002 Å
• α: 93.48 ± 0.02°
• β: 110.57 ± 0.01°
• γ: 91.58 ± 0.02°
• Cell volume: 1328.8 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No