Information card for entry 2236402

Structure parameters

• Common name: <i>L</i>-Tyrosine isopropyl ester
• Chemical name: Isopropyl (2<i>S</i>)-2-amino-3-(4-hydroxyphenyl)propanoate
• Formula: C12 H17 N O3
• Calculated formula: C12 H17 N O3
• SMILES: N[C@H](C(=O)OC(C)C)Cc1ccc(O)cc1
• Title of publication: <small>L</small>-Tyrosine isopropyl ester
• Authors of publication: Nuñez-Dallos, Nelson; Wurst, Klaus; Quevedo, Rodolfo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3173
• a: 5.4539 ± 0.0001 Å
• b: 14.0521 ± 0.0003 Å
• c: 16.5163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1265.79 ± 0.05 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes