Information card for entry 2232857

Structure parameters

• Chemical name: (<i>S</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate
• Formula: C31 H30 N O5 P
• Calculated formula: C31 H30 N O5 P
• SMILES: P(c1c(C(=O)N[C@@H](Cc2cc(OC)c(OC)cc2)C(=O)OC)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>)-Methyl 3-(3,4-dimethoxyphenyl)-2-[2-(diphenylphosphanyl)benzamido]propanoate
• Authors of publication: Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3285
• a: 10.2218 ± 0.0003 Å
• b: 8.4535 ± 0.0002 Å
• c: 15.7633 ± 0.0004 Å
• α: 90°
• β: 100.3 ± 0.002°
• γ: 90°
• Cell volume: 1340.16 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes