Information card for entry 8105945

Structure parameters

• Formula: C18 H20 N4 O2
• Calculated formula: C18 H20 N4 O2
• Title of publication: The crystal structure of N 1,N 4-bis(pyridin-3-yl)cyclohexane-1,4-dicarboxamide, C18H20N4O2
• Authors of publication: Luo, Xiao-Li; Yang, Tao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1087 - 1089
• a: 7.8951 ± 0.0005 Å
• b: 9.9303 ± 0.0007 Å
• c: 10.5446 ± 0.0007 Å
• α: 90°
• β: 105.508 ± 0.007°
• γ: 90°
• Cell volume: 796.61 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No