Information card for entry 2015042

Structure parameters

• Chemical name: (E)-4-Methoxybenzaldehyde O-(N-phenylcarbamoyl)oxime
• Formula: C15 H14 N2 O3
• Calculated formula: C15 H14 N2 O3
• SMILES: N(c1ccccc1)C(=O)O/N=C/c1ccc(OC)cc1
• Title of publication: (<i>E</i>)-4-Methoxybenzaldehyde <i>O</i>-(<i>N</i>-phenylcarbamoyl)oxime
• Authors of publication: Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o422 - o423
• a: 8.8037 ± 0.0008 Å
• b: 12.1484 ± 0.0015 Å
• c: 12.9823 ± 0.0017 Å
• α: 75.275 ± 0.011°
• β: 81.075 ± 0.009°
• γ: 80.746 ± 0.009°
• Cell volume: 1315.9 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes