Information card for entry 1513536

Structure parameters

• Common name: Boc-gF(b-OH)-OEt
• Chemical name: (3R,4S)-ethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxy-5-phenylpentanoate
• Formula: C18 H27 N O5
• Calculated formula: C18 H27 N O5
• SMILES: O(C(C)(C)C)C(=O)N[C@H]([C@H](O)CC(=O)OCC)Cc1ccccc1
• 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: 13.863 ± 0.015 Å
• b: 5.14 ± 0.005 Å
• c: 13.888 ± 0.016 Å
• α: 90°
• β: 107.36 ± 0.02°
• γ: 90°
• Cell volume: 944.5 ± 1.8 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: 0.1083
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No