Information card for entry 2206009

Structure parameters

• Chemical name: (1R,2R)-N,N'-bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine
• Formula: C20 H20 N4 O4
• Calculated formula: C20 H20 N4 O4
• SMILES: [C@@H]1([C@@H](CCCC1)/N=C/c1ccc(cc1)N(=O)=O)/N=C/c1ccc(cc1)N(=O)=O
• Title of publication: (1<i>R</i>,2<i>R</i>)-<i>N,N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1699 - o1701
• a: 52.275 ± 0.003 Å
• b: 5.3605 ± 0.0002 Å
• c: 14.0209 ± 0.0008 Å
• α: 90°
• β: 104.952 ± 0.002°
• γ: 90°
• Cell volume: 3795.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes