Information card for entry 2224664

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethylidyne)]diphenol
• Formula: C21 H19 N3 O4
• Calculated formula: C21 H19 N3 O4
• SMILES: Oc1c(cccc1OC)/C=N/c1ncccc1/N=C/c1c(O)c(OC)ccc1
• Title of publication: 6,6'-Dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Li, Qiuhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o70
• a: 6.7006 ± 0.0009 Å
• b: 16.699 ± 0.002 Å
• c: 17.49 ± 0.002 Å
• α: 90°
• β: 98.772 ± 0.002°
• γ: 90°
• Cell volume: 1934.1 ± 0.4 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: 0.1044
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes