Information card for entry 7205170

Structure parameters

• Common name: Tyr-Aib-Val
• Chemical name: Tyr-Aib-Val
• Formula: C24 H37 N3 O7
• Calculated formula: C24 H37 N3 O7
• SMILES: N(C(=O)C(NC(=O)[C@H](NC(=O)OC(C)(C)C)Cc1ccc(O)cc1)(C)C)[C@@H](C(=O)OC)C(C)C
• Title of publication: Insights into self-assembling nanoporous peptide and in situ reducing agent
• Authors of publication: Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 973
• a: 10.84 ± 0.01 Å
• b: 14.535 ± 0.013 Å
• c: 18.079 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2849 ± 4 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: 0.1266
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No