Information card for entry 2006742

Structure parameters

• Chemical name: trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine
• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: Oc1c(/C=N/[C@@H]2[C@@H](/N=C/c3ccccc3O)CCCC2)cccc1.Oc1c(/C=N/[C@H]2[C@H](/N=C/c3ccccc3O)CCCC2)cccc1
• Title of publication: <i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine
• Authors of publication: Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1671 - 1673
• a: 16.001 ± 0.001 Å
• b: 11.821 ± 0.003 Å
• c: 9.641 ± 0.001 Å
• α: 90°
• β: 98.53 ± 0.03°
• γ: 90°
• Cell volume: 1803.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.0765
• Goodness-of-fit parameter for all reflections: 0.869
• Goodness-of-fit parameter for significantly intense reflections: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No