Information card for entry 2006085

Structure parameters

• Chemical name: 2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol
• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: CCC(=N\CC/N=C(/c1ccccc1O)CC)/c1ccccc1O
• Title of publication: Two Schiff Base Ligands Derived from 1,2-Diaminoethane
• Authors of publication: Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 486 - 488
• a: 5.131 ± 0.005 Å
• b: 13.261 ± 0.008 Å
• c: 12.718 ± 0.005 Å
• α: 90°
• β: 94.95 ± 0.08°
• γ: 90°
• Cell volume: 862.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.0809
• Goodness-of-fit parameter for all reflections: 0.723
• Goodness-of-fit parameter for significantly intense reflections: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No