Information card for entry 4517130

Structure parameters

• Formula: C23 H25 N O
• Calculated formula: C23 H25 N O
• SMILES: O=C(N(C(C)C)C(C)C)c1c2c(ccc(c3ccccc3)c2)ccc1
• 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: 7.4537 ± 0.0003 Å
• b: 10.8662 ± 0.0005 Å
• c: 12.8697 ± 0.0007 Å
• α: 105.015 ± 0.005°
• β: 99.127 ± 0.004°
• γ: 100.612 ± 0.004°
• Cell volume: 965.9 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No