Information card for entry 7235393

Structure parameters

• Common name: PEPSEQ A=2 PHE*-PHE*
• Chemical name: '(β^3^-homophenylalanyl)-phenylalanine) hemihydrate'
• Formula: C38 H46 N4 O7
• Calculated formula: C38 H44 N4 O7
• 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: 5.786 ± 0.0007 Å
• b: 24.375 ± 0.003 Å
• c: 25.285 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3566 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2237
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No