Information card for entry 1565040

Structure parameters

• Formula: C10 H12 F N O3
• Calculated formula: C10 H12 F N O3
• SMILES: [O-]C(=O)[C@@H]([NH3+])C[C@H](O)c1cc(F)ccc1
• Title of publication: Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation
• Authors of publication: Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 22
• Pages of publication: 7380 - 7385
• a: 5.9384 ± 0.0001 Å
• b: 5.3053 ± 0.0001 Å
• c: 15.9518 ± 0.0004 Å
• α: 90°
• β: 93.289 ± 0.001°
• γ: 90°
• Cell volume: 501.734 ± 0.018 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0268
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No