Information card for entry 1507725

Structure parameters

• Common name: Alpa-gamma helix
• Chemical name: Penta Peptide
• Formula: C36 H52 Cl2 N5 O6
• Calculated formula: C36 H52 Cl2 N5 O6
• SMILES: O(C(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)NC.C(Cl)Cl
• 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: 10.5245 ± 0.0018 Å
• b: 16.382 ± 0.003 Å
• c: 22.095 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3809.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.325 kPa
• Number of distinct elements: 5
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No