Information card for entry 1548802

Structure parameters

• Chemical name: 1,4-Bis(4-methyl-2-nitrophenoxy)butane
• Formula: C18 H20 N2 O6
• Calculated formula: C18 H20 N2 O6
• Title of publication: 1,4-Bis(4-methyl-2-nitrophenoxy)butane
• Authors of publication: Zhang, Huihui; Wang, Haiyan; Yu, Jianhua
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: x171734
• a: 4.7936 ± 0.0007 Å
• b: 12.9828 ± 0.0019 Å
• c: 14.632 ± 0.002 Å
• α: 90°
• β: 92.986 ± 0.002°
• γ: 90°
• Cell volume: 909.4 ± 0.2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes