Information card for entry 7154726

Structure parameters

• Formula: C23 H21 F N2
• Calculated formula: C23 H21 F N2
• SMILES: C1(c2ccccc2)=N[C@H](CN1c1ccccc1)[C@](C)(c1ccccc1)F.C1(c2ccccc2)=N[C@@H](CN1c1ccccc1)[C@@](C)(c1ccccc1)F
• Title of publication: anti-Selective aminofluorination of alkenes with amidines mediated by hypervalent iodine(iii) reagents.
• Authors of publication: Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5481 - 5485
• a: 23.8959 ± 0.0008 Å
• b: 5.8737 ± 0.0002 Å
• c: 27.367 ± 0.001 Å
• α: 90°
• β: 111.579 ± 0.0013°
• γ: 90°
• Cell volume: 3571.9 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No