Information card for entry 1513538

Structure parameters

• Common name: Tetra hybrid peptide
• Chemical name: Boc-U-(R,S)F-U-(R,S)F-OEt
• Formula: C38 H60 N4 O13
• Calculated formula: C38 H60 N4 O13
• SMILES: O(C(C)(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CC(=O)OCC.OC.O.O.O
• Title of publication: Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.
• Authors of publication: Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 294 - 297
• a: 10.544 ± 0.0008 Å
• b: 9.6062 ± 0.0008 Å
• c: 21.5794 ± 0.0016 Å
• α: 90°
• β: 100.859 ± 0.002°
• γ: 90°
• Cell volume: 2146.6 ± 0.3 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: 0.0663
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No