Information card for entry 1554070

Structure parameters

• Formula: C12 H29.99 N4 O5
• Calculated formula: C12 H29.994 N4 O5
• Title of publication: Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine
• Authors of publication: Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 17
• Pages of publication: 9385
• a: 9.5309 ± 0.00027 Å
• b: 5.21728 ± 0.00017 Å
• c: 17.6011 ± 0.0008 Å
• α: 90°
• β: 101.078 ± 0.004°
• γ: 90°
• Cell volume: 858.91 ± 0.06 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• RFsqd: 0.24366
• Goodness-of-fit parameter for all reflections: 1.37
• 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