Information card for entry 7235392

Structure parameters

• Common name: PEPSEQ A=2 PHE*-PHE*
• Chemical name: (β^3^-homophenylalanyl)-(α,β-dehydrophenylalanine) monohydrate
• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• Title of publication: Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system
• Authors of publication: Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 20
• Pages of publication: 3096
• a: 12.6575 ± 0.0006 Å
• b: 5.6511 ± 0.0003 Å
• c: 12.7702 ± 0.0006 Å
• α: 90°
• β: 104.861 ± 0.002°
• γ: 90°
• Cell volume: 882.88 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No