Information card for entry 4119246

Structure parameters

• Common name: RJP-D206-chiral
• Chemical name: toste67
• Formula: C22 H19 F O
• Calculated formula: C22 H19 F O
• SMILES: [C@@]12(C=CC(=O)C=C1C(CCC2)(c1ccccc1)c1ccccc1)F
• Title of publication: Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols
• Authors of publication: Robert J. Phipps; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1268 - 1271
• a: 24.9942 ± 0.0018 Å
• b: 6.4579 ± 0.0005 Å
• c: 31.448 ± 0.002 Å
• α: 90°
• β: 103.432 ± 0.003°
• γ: 90°
• Cell volume: 4937.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No