Information card for entry 2223054

Structure parameters

• Common name: 4,4'-Dinitro-1,1'-[(propane-1,3-diyldioxy)bis(nitrilomethylidyne)]dibenzene
• Chemical name: 1,3-Bis[(4-nitrobenzylidene)aminooxy]propane
• Formula: C17 H16 N4 O6
• Calculated formula: C17 H16 N4 O6
• Title of publication: 1,3-Bis[(4-nitrobenzylidene)aminooxy]propane
• Authors of publication: Dong, Wen-Kui; Sun, Yin-Xia; Tong, Jun-Feng; Zhao, Hai-Hong; Wang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2141 - o2142
• a: 29.005 ± 0.003 Å
• b: 4.7878 ± 0.0005 Å
• c: 6.3579 ± 0.0007 Å
• α: 90°
• β: 99.144 ± 0.001°
• γ: 90°
• Cell volume: 871.7 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes