Information card for entry 4134413

Structure parameters

• Formula: C11 H17 N O2
• Calculated formula: C11 H17 N O2
• SMILES: C1C[C@@H]2C[C@@H](C2(C)C)[C@@]21COC(=O)N2
• Title of publication: Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp³)-H Amidation.
• Authors of publication: Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5811 - 5818
• a: 7.0148 ± 0.0012 Å
• b: 11.8848 ± 0.0018 Å
• c: 12.981 ± 0.002 Å
• α: 90°
• β: 90.395 ± 0.005°
• γ: 90°
• Cell volume: 1082.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No