Information card for entry 7159233

Structure parameters

• Formula: C39 H52 N6 O7
• Calculated formula: C39 H52 N6 O7
• SMILES: O(C(=O)N[C@H](C(=O)N1CC2CC(CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc3c4c([nH]c3)cccc4)C2)C1)Cc1c2c([nH]c1)cccc2)C(C)(C)C.O
• 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: 13.65 ± 0.013 Å
• b: 9.887 ± 0.01 Å
• c: 15.827 ± 0.016 Å
• α: 90°
• β: 112.53 ± 0.03°
• γ: 90°
• Cell volume: 1973 ± 3 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: 0.1539
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0396
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No