Information card for entry 1548896

Structure parameters

• Formula: C24 H46 N4 O8 S
• Calculated formula: C24 H46 N4 O8 S
• SMILES: COC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(=O)OC)C(C)C
• Title of publication: From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.
• Authors of publication: Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.
• Journal of publication: Soft matter
• Year of publication: 2018
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 2357 - 2364
• a: 9.51 ± 0.0009 Å
• b: 15.8715 ± 0.0012 Å
• c: 10.7748 ± 0.0011 Å
• α: 90°
• β: 105.503 ± 0.003°
• γ: 90°
• Cell volume: 1567.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No