Information card for entry 7131752

Structure parameters

• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: O=C1N(C(=O)C(=C1)c1c(O)ccc(c1)C)Cc1ccccc1
• Title of publication: Carboamination and olefination: <i>ortho</i> C-H functionalization of phenoxyacetamide.
• Authors of publication: Nanda, Tanmayee; Dhal, Shubham Kumar; Das Adhikari, Gopal Krushna; Prusty, Namrata; Ravikumar, Ponneri C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 12.9319 ± 0.0009 Å
• b: 8.3942 ± 0.0007 Å
• c: 14.1421 ± 0.0009 Å
• α: 90°
• β: 106.907 ± 0.007°
• γ: 90°
• Cell volume: 1468.81 ± 0.19 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.0658
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No