Information card for entry 7118769

Structure parameters

• Formula: C27 H43 N3 O5
• Calculated formula: C27 H43 N3 O5
• SMILES: O=C(N(C(C)(C)C)CC(=O)N(C(C)(C)C)CC(=O)N(C(C)(C)C)CC(=O)OCc1ccccc1)C
• Title of publication: Weak backbone CHO[double bond, length as m-dash]C and side chain tButBu London interactions help promote helix folding of achiral NtBu peptoids.
• Authors of publication: Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 24
• Pages of publication: 4573 - 4576
• a: 11.0838 ± 0.0003 Å
• b: 50.0332 ± 0.0009 Å
• c: 10.6703 ± 0.0002 Å
• α: 90°
• β: 107.01 ± 0.003°
• γ: 90°
• Cell volume: 5658.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No