Information card for entry 7152774

Structure parameters

• Common name: gamma Phe
• Chemical name: gamma_Phe
• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: [C@H](Cc1ccccc1)(CCC(=O)[O-])[NH3+]
• Title of publication: Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.
• Authors of publication: Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 509 - 514
• a: 7.757 ± 0.005 Å
• b: 6.483 ± 0.004 Å
• c: 9.907 ± 0.007 Å
• α: 90°
• β: 92.808 ± 0.012°
• γ: 90°
• Cell volume: 497.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No