Information card for entry 2004772

Structure parameters

• Chemical name: 2,2'-[(1,2-cyclohexanediyl)bis(nitriloethylidyne)]bisphenol
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: Oc1ccccc1C(=N\[C@H]1CCCC[C@@H]1/N=C(\C)c1ccccc1O)\C.Oc1ccccc1C(=N\[C@@H]1CCCC[C@H]1/N=C(\C)c1ccccc1O)\C
• 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: 11.832 ± 0.009 Å
• b: 13.797 ± 0.005 Å
• c: 12.954 ± 0.007 Å
• α: 90°
• β: 112.51 ± 0.04°
• γ: 90°
• Cell volume: 1954 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.286
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 0.688
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No