Information card for entry 1569743

Structure parameters

• Formula: C10 H13 N O3
• Calculated formula: C10 H13 N O3
• Title of publication: Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides.
• Authors of publication: Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 10140 - 10146
• a: 9.3359 ± 0.0013 Å
• b: 10.169 ± 0.003 Å
• c: 20.658 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1961.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No