Information card for entry 7152852

Structure parameters

• Formula: C21 H35 F6 N3 O4
• Calculated formula: C21 H35 F6 N3 O4
• SMILES: CC(C)(C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C(F)(F)F)C(F)(F)F)N(C(C)C)C(=O)NC(C)C
• Title of publication: Multi-component synthesis of peptide-sugar conjugates.
• Authors of publication: Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 2421 - 2444
• a: 11.13 ± 0.001 Å
• b: 17.499 ± 0.001 Å
• c: 14.051 ± 0.001 Å
• α: 90°
• β: 99.9 ± 0.003°
• γ: 90°
• Cell volume: 2695.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No