Information card for entry 2201209

Structure parameters

• Chemical name: (1R,2R)-Bis(4-pyridylmethyleneamino)cyclohexane
• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: C1CC[C@H]([C@@H](C1)/N=C/c1ccncc1)/N=C/c1ccncc1
• Title of publication: (1<i>R</i>,2<i>R</i>)-Bis(4-pyridylmethyleneamino)cyclohexane
• Authors of publication: Xue-Jun Yuan; Yi-Zhi Li; Yong-Jiang Liu; Yun-Qi Tian; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o640 - o641
• a: 15.23 ± 0.004 Å
• b: 5.789 ± 0.001 Å
• c: 9.415 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 830.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes