Information card for entry 2211454

Structure parameters

• Chemical name: (1R,2R)-N,N'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine
• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: N(=C\c1ncccc1)/[C@H]1[C@H](\N=C\c2ncccc2)CCCC1
• Title of publication: (1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine
• Authors of publication: Bo Liu; Ming-Jie Zhang; Jin Cui; Jie Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5359 - o5360
• a: 8.5865 ± 0.0018 Å
• b: 8.7487 ± 0.0018 Å
• c: 21.661 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1627.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes