Information card for entry 2209131

Structure parameters

• Chemical name: (E)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene
• Formula: C16 H21 N5 O6
• Calculated formula: C16 H21 N5 O6
• SMILES: O=N(=O)[C@]1(/N=N/c2c(N(=O)=O)cc(N(=O)=O)cc2)[C@H](CC[C@@H](C1)C)C(C)C
• Title of publication: (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-isopropyl-5-methyl-1-nitrocyclohexyl)diazene
• Authors of publication: Li-Fang Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2160 - o2162
• a: 8.419 ± 0.002 Å
• b: 9.382 ± 0.002 Å
• c: 12.366 ± 0.004 Å
• α: 90°
• β: 107.46 ± 0.02°
• γ: 90°
• Cell volume: 931.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes