Information card for entry 2011541

Structure parameters

• Formula: C26 H22 Cl2 N2 O6
• Calculated formula: C26 H22 Cl2 N2 O6
• SMILES: Clc1c(Cl)cc(C(=O)O)c(c1)C(=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: 9.6821 ± 0.0007 Å
• b: 18.4661 ± 0.0012 Å
• c: 7.4203 ± 0.0005 Å
• α: 93.611 ± 0.005°
• β: 105.676 ± 0.005°
• γ: 100.636 ± 0.005°
• Cell volume: 1246.43 ± 0.15 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No