Information card for entry 2207257

Structure parameters

• Chemical name: (E,E)-4-Hydroxy-3-methoxybenzaldehyde azine
• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: COc1cc(/C=N/N=C/c2ccc(c(c2)OC)O)ccc1O
• Title of publication: (<i>E</i>,<i>E</i>)-4-Hydroxy-3-methoxybenzaldehyde azine
• Authors of publication: Qu, Yang; Sun, Xian-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3828 - o3830
• a: 11.6941 ± 0.0008 Å
• b: 7.5492 ± 0.0005 Å
• c: 16.7683 ± 0.0012 Å
• α: 90°
• β: 94.169 ± 0.001°
• γ: 90°
• Cell volume: 1476.41 ± 0.18 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes