Information card for entry 8102283

Structure parameters

• Formula: C18 H20 N2 O6
• Calculated formula: C18 H20 N2 O6
• SMILES: N(Cc1ccc(O)c(OC)c1)C(=O)C(=O)NCc1ccc(O)c(OC)c1
• Title of publication: Crystal structure of N,N'-bis(4-hydroxy-3-methoxybenzyl)oxalamide, C18H20N2O6
• Authors of publication: Mei-Li Zhang; Xiao-Ming Gao; Dan-Jun Wang; Li Guo; Ji-Wu Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 173
• a: 10.58 ± 0.02 Å
• b: 10.58 ± 0.02 Å
• c: 26.58 ± 0.07 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2577 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No