Information card for entry 7220329

Structure parameters

• Common name: L tyrosine ethyl ester
• Chemical name: L tyrosine ethyl ester
• Formula: C11 H15 N O3
• Calculated formula: C11 H15 N O3
• Title of publication: Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III
• Authors of publication: Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 3974
• a: 12.6554 ± 0.0036 Å
• b: 16.0575 ± 0.0033 Å
• c: 5.2045 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.6 ± 0.4 ų
• Cell temperature: 308 ± 2 K
• Ambient diffraction temperature: 308 ± 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: 2.629
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.636
• Diffraction radiation wavelength: 0.4499 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No