Information card for entry 4119247

Structure parameters

• Formula: C26 H22 F2 O2
• Calculated formula: C26 H22 F2 O2
• SMILES: C1(=O)[C@]([C@H]2C=C[C@@H]1[C@H]1[C@@H]2[C@@](C(=O)C=C1)(Cc1ccccc1)F)(Cc1ccccc1)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: 6.7069 ± 0.0002 Å
• b: 16.258 ± 0.0006 Å
• c: 18.2761 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.84 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No