Information card for entry 7118031

Structure parameters

• Common name: Fmoc-tpd-Ala-NH2
• Chemical name: 10
• Formula: C24 H28 N4 O6
• Calculated formula: C24 H28 N4 O6
• Title of publication: Beta-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching
• Authors of publication: Chang Won Kang; Matthew P. Sarnowski; Sujeewa Ranatunga; Lukasz Wojtas; Rainer S. Metcalf; Wayne C. Guida; Juan R. Del Valle
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16259
• a: 6.1328 ± 0.0002 Å
• b: 16.7206 ± 0.0004 Å
• c: 22.9284 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.17 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0449
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No