Information card for entry 2205600

Structure parameters

• Chemical name: N,N'-Bis(3-nitrobenzylidene)-trans-1,2-cyclohexanediamine
• Formula: C20 H20 N4 O4
• Calculated formula: C20 H20 N4 O4
• SMILES: c1(cc(ccc1)N(=O)=O)/C=N/[C@H]1[C@@H](CCCC1)/N=C/c1cc(ccc1)N(=O)=O.c1(cc(ccc1)N(=O)=O)/C=N/[C@@H]1[C@H](CCCC1)/N=C/c1cc(ccc1)N(=O)=O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-nitrobenzylidene)-<i>trans</i>-1,2-cyclohexanediamine
• Authors of publication: Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o962 - o963
• a: 19.288 ± 0.004 Å
• b: 15.84 ± 0.003 Å
• c: 15.485 ± 0.003 Å
• α: 90°
• β: 124.297 ± 0.003°
• γ: 90°
• Cell volume: 3908.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.206
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1988
• 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: No
• Has Fobs: Yes