Information card for entry 8103327

Structure parameters

• Formula: C22 H28 N2 O6
• Calculated formula: C22 H28 N2 O6
• SMILES: N(=C\c1cc(OCC)c(O)cc1)/OCCCCO/N=C/c1cc(OCC)c(O)cc1
• Title of publication: Crystal structure of bis(3-ethoxy-4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C22H28N2O6
• Authors of publication: Yin-Xia Sun; Guo-Hua Liu; Jiao Wang; Sen-Hua Liu; Gang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 123
• a: 5.2239 ± 0.0004 Å
• b: 14.5728 ± 0.0013 Å
• c: 29.272 ± 0.002 Å
• α: 90°
• β: 92.714 ± 0.001°
• γ: 90°
• Cell volume: 2225.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1389
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No