Information card for entry 2010756

Structure parameters

• Common name: N-acetyl-L-phenylalanine
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: N(C(=O)C)[C@H](C(=O)O)Cc1ccccc1
• Title of publication: <i>N</i>-Acetyl-<small>L</small>-phenylalanine
• Authors of publication: Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e100 - e100
• a: 5.6528 ± 0.0001 Å
• b: 11.1532 ± 0.0002 Å
• c: 16.9897 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1071.15 ± 0.03 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes