Information card for entry 4131042

Structure parameters

• Formula: C23 H26 N2 O3
• Calculated formula: C23 H26 N2 O3
• SMILES: O1C2=C(CCC1CCC(=O)Nc1c3ncccc3ccc1)C(=O)CC(C)(C2)C
• Title of publication: Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.
• Authors of publication: Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14705 - 14712
• a: 13.9598 ± 0.0008 Å
• b: 14.3552 ± 0.0008 Å
• c: 9.938 ± 0.0004 Å
• α: 90°
• β: 90.919 ± 0.002°
• γ: 90°
• Cell volume: 1991.28 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0712
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No