Information card for entry 4134411

Structure parameters

• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: C[C@]12C3C[C@H]4C[C@@H](C3)CC1(C4)NC(=O)O2.C[C@@]12C3C[C@@H]4C[C@H](C3)CC1(C4)NC(=O)O2
• 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: 10.5324 ± 0.0003 Å
• b: 10.3157 ± 0.0003 Å
• c: 18.7208 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0607
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No