Information card for entry 2011651

Structure parameters

• Formula: C21 H20 F3 N O4
• Calculated formula: C21 H20 F3 N O4
• SMILES: FC(F)(F)[C@@H](c1ccc(OC)cc1)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
• Title of publication: (<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
• Authors of publication: Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e592 - e593
• a: 13.115 ± 0.003 Å
• b: 24.305 ± 0.003 Å
• c: 6.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.2 ± 1.1 ų
• Cell temperature: 298.2 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 significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.998
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes