Information card for entry 2230555

Structure parameters

• Common name: (<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate
• Chemical name: (<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-[(triphenylmethyl)amino]propanoate
• Formula: C35 H31 N O3
• Calculated formula: C35 H31 N O3
• SMILES: O=C(OCc1ccccc1)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccc(O)cc1
• Title of publication: (<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate
• Authors of publication: Chen, Meimei; Lai, Xinmei; Zhou, Changen; Yang, Xuemei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1412
• a: 9.1188 ± 0.0018 Å
• b: 15.774 ± 0.003 Å
• c: 19.393 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2789.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes