Information card for entry 7107977

Structure parameters

• Common name: hexaM
• Chemical name: ALPHA-GAMMA mixed peptide
• Formula: C54 H76 N6 O9.5
• Calculated formula: C54 H76 N6 O9.5
• SMILES: C(C)(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)CCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)/C=C/C(=O)OCC.O
• Title of publication: alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix
• Authors of publication: Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7170
• a: 14.85 ± 0.006 Å
• b: 18.173 ± 0.007 Å
• c: 24.075 ± 0.009 Å
• α: 90°
• β: 107.254 ± 0.007°
• γ: 90°
• Cell volume: 6205 ± 4 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: 0.1256
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No