Information card for entry 2006086

Structure parameters

• Chemical name: 2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol
• Formula: C28 H24 N2 O2
• Calculated formula: C28 H24 N2 O2
• SMILES: Oc1ccccc1/C(=N/CC/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1
• 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: 18.53 ± 0.008 Å
• b: 13.443 ± 0.01 Å
• c: 17.737 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4418 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.0674
• Goodness-of-fit parameter for all reflections: 0.546
• Goodness-of-fit parameter for significantly intense reflections: 0.796
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No