Information card for entry 1566834

Structure parameters

• Common name: L-tyrosine
• Chemical name: 2-amino-3-(4-hydroxyphenyl)propanoic acid
• Formula: C9 H11 N O3
• Calculated formula: C9 H11 N O3
• Title of publication: A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine
• Authors of publication: Smalley, Christopher J. H.; Hoskyns, Harriet E.; Hughes, Colan E.; Johnstone, Duncan N.; Willhammar, Tom; Young, Mark T.; Pickard, Christopher J.; Logsdail, Andrew J.; Midgley, Paul A.; Harris, Kenneth D. M.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 7.6764 ± 0.0006 Å
• b: 5.887 ± 0.0003 Å
• c: 9.6143 ± 0.0006 Å
• α: 90°
• β: 94.575 ± 0.004°
• γ: 90°
• Cell volume: 433.1 ± 0.05 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1145
• Goodness-of-fit parameter for all reflections: 1.296
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No