Information card for entry 2004771

Structure parameters

• Chemical name: 2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bisphenol
• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: Oc1ccccc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O.Oc1ccccc1/C=N/[C@H]1CCCC[C@@H]1/N=C/c1ccccc1O
• Title of publication: Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane
• Authors of publication: Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1014 - 1017
• a: 16.013 ± 0.006 Å
• b: 11.86 ± 0.006 Å
• c: 9.643 ± 0.002 Å
• α: 90°
• β: 98.5 ± 0.02°
• γ: 90°
• Cell volume: 1811.2 ± 1.2 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: 0.0484
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.1071
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No