Information card for entry 1505436

Structure parameters

• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: O(N=C(c1ccccc1)C)c1ccc(cc1)N(=O)=O
• Title of publication: CuI-mediated cross-coupling of aryl halides with oximes: a direct access to O-aryloximes.
• Authors of publication: De, Prithwiraj; Nonappa,; Pandurangan, Komala; Maitra, Uday; Wailes, Steve
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2767 - 2770
• a: 7.356 ± 0.003 Å
• b: 6.447 ± 0.003 Å
• c: 26.303 ± 0.01 Å
• α: 90°
• β: 91.214 ± 0.007°
• γ: 90°
• Cell volume: 1247.1 ± 0.9 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No