Information card for entry 8106330

Structure parameters

• Formula: C26 H31 N5 O7
• Calculated formula: C26 H31 N5 O7
• Title of publication: Crystal structure of ethyl-5-formyl-3,4-dimethylpyrrole-2-carboxylate — N-(5-ethoxycarbonyl-3,4-dimethylpyrrole)-2-methylene-5-nitrobenzene-1,2-diamine (1:1), C26H31N5O7
• Authors of publication: Lu, Zhongliang; Wei, Zhen; Wu, Wei-Na
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 879 - 880
• a: 7.0353 ± 0.0005 Å
• b: 15.1943 ± 0.0008 Å
• c: 24.8536 ± 0.0013 Å
• α: 90°
• β: 92.314 ± 0.004°
• γ: 90°
• Cell volume: 2654.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No