Information card for entry 2006265

Structure parameters

• Formula: C23 H23 N3 O2
• Calculated formula: C23 H23 N3 O2
• SMILES: COc1ccc(cc1)/N=C(/c1cccc(n1)/C(=N/c1ccc(cc1)OC)C)C
• Title of publication: 2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand
• Authors of publication: Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 888 - 890
• a: 40.266 ± 0.014 Å
• b: 7.044 ± 0.0013 Å
• c: 7.1203 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.6 ± 0.9 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1436
• Weighted residual factors for significantly intense reflections: 0.127
• Goodness-of-fit parameter for all reflections: 0.94
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No