Information card for entry 2312134

Structure parameters

• Chemical name: <i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine
• Formula: C17 H24 N2 O5
• Calculated formula: C17 H24 N2 O5
• Title of publication: Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.
• Authors of publication: Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 277 - 282
• a: 4.82 ± 0.001 Å
• b: 19.11 ± 0.004 Å
• c: 19.28 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1775.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.97625 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes