Information card for entry 7233403

Structure parameters

• Formula: C19 H14 F3 N O
• Calculated formula: C19 H14 F3 N O
• Title of publication: Two birds with one stone: one-pot simultaneous synthesis of 2,2,2-trifluoroethylphenanthridines and benzochromenones featuring the utilization of the byproduct of Togni's reagent
• Authors of publication: Gao, Cai; Li, Bin; Geng, Xueyang; Zhou, Qianting; Zhang, Xinying; Fan, Xuesen
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 5113
• a: 9.5181 ± 0.0002 Å
• b: 21.4287 ± 0.0004 Å
• c: 7.5942 ± 0.0002 Å
• α: 90°
• β: 111.404 ± 0.003°
• γ: 90°
• Cell volume: 1442.09 ± 0.06 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No