Information card for entry 7159232

Structure parameters

• Formula: C29 H52 N4 O6
• Calculated formula: C29 H52 N4 O6
• SMILES: O=C(N1CC2CC(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C2)C1)[C@@H](NC(=O)OC(C)(C)C)CC(C)C
• Title of publication: Pseudopeptosomes: non-lipidated vesicular assemblies from bispidine-appended pseudopeptides.
• Authors of publication: Singh, Hanuman; Pragya, Pragya; Mittal, Aditya; Haridas, V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3557 - 3566
• a: 6.6858 ± 0.0004 Å
• b: 26.274 ± 0.0017 Å
• c: 11.3518 ± 0.0007 Å
• α: 90°
• β: 102.219 ± 0.003°
• γ: 90°
• Cell volume: 1948.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.1138
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No