Information card for entry 7123348

Structure parameters

• Common name: CapNFF
• Formula: C20 H23 N3 O3
• Calculated formula: C20 H23 N3 O3
• Title of publication: Crystallization and Lamellar Nanosheet Formation of an Aromatic Dipeptoid
• Authors of publication: Hamley, Ian; Chippindale, ann M; Castelletto, Valeria; Barnett, Sarah; Hasan, Abshar; Lau, Aaron
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.73549 ± 0.00011 Å
• b: 16.75238 ± 0.00008 Å
• c: 4.78477 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1902.55 ± 0.015 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No