Information card for entry 1554815

Structure parameters

• Formula: C19 H21 F2 N O
• Calculated formula: C19 H21 F2 N O
• SMILES: O=C(NC)C(Cc1ccccc1)(c1ccc(cc1)C)CC(F)F
• Title of publication: Fluoroalkylative aryl migration of conjugated N-arylsulfonylated amides using easily accessible sodium di- and monofluoroalkanesulfinates.
• Authors of publication: He, Zhengbiao; Tan, Ping; Ni, Chuanfa; Hu, Jinbo
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1838 - 1841
• a: 9.9286 ± 0.0007 Å
• b: 17.0093 ± 0.0013 Å
• c: 10.0841 ± 0.0008 Å
• α: 90°
• β: 90.259 ± 0.004°
• γ: 90°
• Cell volume: 1703 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No