Information card for entry 7118770

Structure parameters

• Chemical name: GA104
• Formula: C37 H64 N5 O6
• Calculated formula: C37 H63 N5 O6
• SMILES: O(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CNC(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Cc1ccccc1
• 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: 11.149 ± 0.001 Å
• b: 17.2409 ± 0.0015 Å
• c: 11.1991 ± 0.001 Å
• α: 90°
• β: 116.772 ± 0.004°
• γ: 90°
• Cell volume: 1921.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No