Information card for entry 1555379

Structure parameters

• Formula: C23 H20 F3 N3 O
• Calculated formula: C23 H20 F3 N3 O
• SMILES: FC(F)(F)c1ccc(C2C3=C(Nc4c2c2c([nH]nc2)cc4)CC(C)(CC3=O)C)cc1
• Title of publication: Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.
• Authors of publication: Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5368 - 5371
• a: 13.6453 ± 0.0011 Å
• b: 9.9432 ± 0.0008 Å
• c: 14.4487 ± 0.0011 Å
• α: 90°
• β: 91.039 ± 0.002°
• γ: 90°
• Cell volume: 1960 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0744
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No