Information card for entry 2210067

Structure parameters

• Chemical name: (E,E)-4-Dimethylaminobenzaldehyde O-(3-phenylpropenoyl)oxime
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: N(OC(=O)\C=C/c1ccccc1)=Cc1ccc(N(C)C)cc1
• Title of publication: (<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-(3-phenylpropenoyl)oxime
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3923 - o3925
• a: 23.88 ± 0.02 Å
• b: 6.406 ± 0.006 Å
• c: 21.41 ± 0.02 Å
• α: 90°
• β: 106.092 ± 0.014°
• γ: 90°
• Cell volume: 3147 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No