Information card for entry 1507723

Structure parameters

• Common name: Alpha-gamma mixed peptide
• Chemical name: Boc-Aib-gPhe-Aib-gPhe-OEt
• Formula: C76 H114 N8 O15
• Calculated formula: C76 H114 N8 O15
• SMILES: C(C)(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)OCC.C(O)C.C(O)C
• Title of publication: Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.
• Authors of publication: Bandyopadhyay, Anupam; Gopi, Hosahudya N.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2770 - 2773
• a: 19.123 ± 0.01 Å
• b: 20.644 ± 0.011 Å
• c: 20.129 ± 0.011 Å
• α: 90°
• β: 98.135 ± 0.011°
• γ: 90°
• Cell volume: 7866 ± 7 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: 0.1074
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No