Information card for entry 7123598

Structure parameters

• Formula: C23 H16 F N O2
• Calculated formula: C23 H16 F N O2
• Title of publication: FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines
• Authors of publication: Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 29.6855 ± 0.0015 Å
• b: 29.6855 ± 0.0015 Å
• c: 11.124 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8489.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No