Information card for entry 4030302

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: O(C)c1c(OC)cc(C(=O)NCc2ccccc2)cc1OC
• Title of publication: Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.
• Authors of publication: Achar, Tapas Kumar; Mal, Prasenjit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 666
• a: 22.9995 ± 0.0008 Å
• b: 5.0912 ± 0.0002 Å
• c: 12.9419 ± 0.0005 Å
• α: 90°
• β: 95.103 ± 0.003°
• γ: 90°
• Cell volume: 1509.43 ± 0.1 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: 0.0576
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No