Information card for entry 2228447

Structure parameters

• Chemical name: <i>rac</i>-2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo- <i>N</i>-phenylpentanamide
• Formula: C26 H24 F N O3
• Calculated formula: C26 H24 F N O3
• SMILES: c1ccc(cc1)NC(=O)[C@H]([C@@H](c1ccccc1)C(=O)c1ccc(cc1)F)C(=O)C(C)C.c1ccc(cc1)NC(=O)[C@@H]([C@H](c1ccccc1)C(=O)c1ccc(cc1)F)C(=O)C(C)C
• Title of publication: <i>rac</i>-2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-<i>N</i>-phenylpentanamide
• Authors of publication: Zhou, Feng-yan; Huang, Jian-ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3168
• a: 14.1694 ± 0.0014 Å
• b: 9.8307 ± 0.0009 Å
• c: 16.6367 ± 0.0016 Å
• α: 90°
• β: 99.651 ± 0.002°
• γ: 90°
• Cell volume: 2284.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes