Information card for entry 4033523

Structure parameters

• Formula: C25 H19 F2 N O
• Calculated formula: C25 H19 F2 N O
• SMILES: FC(F)(C(=O)c1ccc2ccccc2c1)C(Nc1ccccc1)c1ccccc1
• Title of publication: Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.
• Authors of publication: Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3109 - 3118
• a: 5.7571 ± 0.0004 Å
• b: 18.4857 ± 0.0013 Å
• c: 17.589 ± 0.0013 Å
• α: 90°
• β: 94.41 ± 0.004°
• γ: 90°
• Cell volume: 1866.4 ± 0.2 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.1046
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No