Information card for entry 1565405

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O1C(N=C(c2ccccc2)c2ccccc2)COCC1
• Title of publication: Copper(ii) ketimides in sp3 C–H amination
• Authors of publication: Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 16.2558 ± 0.0013 Å
• b: 7.4638 ± 0.0006 Å
• c: 11.6496 ± 0.001 Å
• α: 90°
• β: 101.984 ± 0.002°
• γ: 90°
• Cell volume: 1382.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No