Information card for entry 1547603

Structure parameters

• Formula: C24 H20 F3 N O2
• Calculated formula: C24 H20 F3 N O2
• SMILES: FC(F)(F)CN(C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.
• Authors of publication: Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5689 - 5692
• a: 9.715 ± 0.004 Å
• b: 9.964 ± 0.004 Å
• c: 21.348 ± 0.007 Å
• α: 90.371 ± 0.006°
• β: 94.727 ± 0.007°
• γ: 104.841 ± 0.005°
• Cell volume: 1989.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No