Information card for entry 4517129

Structure parameters

• Formula: C15 H17 N O
• Calculated formula: C15 H17 N O
• SMILES: O=C(NC(C)(C)C)c1c2ccccc2ccc1
• Title of publication: F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides
• Authors of publication: Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11802
• a: 11.0739 ± 0.0004 Å
• b: 11.3132 ± 0.0004 Å
• c: 10.2916 ± 0.0003 Å
• α: 90°
• β: 93.622 ± 0.003°
• γ: 90°
• Cell volume: 1286.77 ± 0.08 ų
• Cell temperature: 296 ± 0.5 K
• Ambient diffraction temperature: 296 ± 0.5 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: 0.0707
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No