Information card for entry 1503188

Structure parameters

• Formula: C22 H19 F N2 O
• Calculated formula: C22 H19 F N2 O
• SMILES: N1(NC(=O)C[C@@H]1c1ccccc1)[C@H](c1ccccc1)c1ccccc1F.N1(NC(=O)C[C@H]1c1ccccc1)[C@@H](c1ccccc1)c1ccccc1F
• Title of publication: Rhodium-catalyzed asymmetric arylation of azomethine imines.
• Authors of publication: Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4106 - 4109
• a: 10.266 ± 0.003 Å
• b: 16.834 ± 0.007 Å
• c: 11.491 ± 0.006 Å
• α: 90°
• β: 114.101 ± 0.015°
• γ: 90°
• Cell volume: 1812.7 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No