Information card for entry 1551302

Structure parameters

• Common name: HCO-(Adm)3-NHiPr
• Formula: C37 H54 N4 O4
• Calculated formula: C37 H54 N4 O4
• SMILES: C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC(C)C
• Title of publication: Isolated α-turn and incipient γ-helix
• Authors of publication: M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.6489 ± 0.0004 Å
• b: 14.7284 ± 0.0004 Å
• c: 16.1631 ± 0.0004 Å
• α: 90°
• β: 109.738 ± 0.001°
• γ: 90°
• Cell volume: 3282.38 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0499
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No