Information card for entry 1556094

Structure parameters

• Formula: C18 H22 N2 O5
• Calculated formula: C18 H22 N2 O5
• Title of publication: Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes
• Authors of publication: Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 23
• Pages of publication: 12136
• a: 12.1112 ± 0.0005 Å
• b: 5.4213 ± 0.00017 Å
• c: 13.7691 ± 0.0005 Å
• α: 90°
• β: 100.011 ± 0.0035°
• γ: 90°
• Cell volume: 890.29 ± 0.06 ų
• 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
• RFsqd: 0.16533
• Goodness-of-fit parameter for all reflections: 1.22
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No