Information card for entry 2202659

Structure parameters

• Chemical name: (2,4-Dinitrophenyl)(1-nitrohexyl)diazene
• Formula: C12 H13 N5 O6
• Calculated formula: C12 H13 N5 O6
• Title of publication: (2,4-Dinitrophenyl)(1-nitrohexyl)diazene
• Authors of publication: Yang, De-Suo; Li, Yi-Zhi; Wu, Long-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1956 - o1957
• a: 11.282 ± 0.002 Å
• b: 13.033 ± 0.002 Å
• c: 10.162 ± 0.001 Å
• α: 90°
• β: 98.5 ± 0.01°
• γ: 90°
• Cell volume: 1477.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes