Information card for entry 7117164

Structure parameters

• Formula: C16 H12 F2 N O4
• Calculated formula: C16 H12 F4 O
• SMILES: C(c1ccc(cc1)[C@@H]([C@@H]1c2ccccc2OC1)F)(F)(F)F.C(c1ccc(cc1)[C@H]([C@H]1c2ccccc2OC1)F)(F)(F)F
• Title of publication: Silver-catalyzed Meerwein arylation: intermolecular and intramolecular fluoroarylation of styrenes
• Authors of publication: Rui Guo; Haodong Yang; Pingping Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8829
• a: 22.639 ± 0.005 Å
• b: 5.0207 ± 0.001 Å
• c: 11.438 ± 0.002 Å
• α: 90°
• β: 93.54 ± 0.03°
• γ: 90°
• Cell volume: 1297.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No