Information card for entry 7160385

Structure parameters

• Formula: C8 H10 N2 O2
• Calculated formula: C8 H10 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: 11.5155 ± 0.0008 Å
• b: 5.6145 ± 0.0003 Å
• c: 12.6912 ± 0.0009 Å
• α: 90°
• β: 100.496 ± 0.002°
• γ: 90°
• Cell volume: 806.8 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No