Information card for entry 1504919

Structure parameters

• Formula: C22 H20 F3 N O2
• Calculated formula: C22 H20 F3 N O2
• SMILES: FC(F)(F)[C@@](OC)(c1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1
• Title of publication: (1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.
• Authors of publication: Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4669 - 4672
• a: 12.333 ± 0.003 Å
• b: 16.695 ± 0.004 Å
• c: 18.865 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3884.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1438
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No