Information card for entry 7160386

Structure parameters

• Formula: C11 H18 N2 O2
• Calculated formula: C11 H18 N2 O2
• Title of publication: C-H amination of enolizable and nonenolizable ketones.
• Authors of publication: Holovko-Kamoshenkova, Oksana; Tošner, Zdeněk; Císařová, Ivana; Hrdina, Radim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2818 - 2822
• a: 8.9496 ± 0.0003 Å
• b: 6.568 ± 0.0002 Å
• c: 20.8721 ± 0.0007 Å
• α: 90°
• β: 96.166 ± 0.001°
• γ: 90°
• Cell volume: 1219.78 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No