Information card for entry 1548895

Structure parameters

• Formula: C24 H46 N4 O8 S
• Calculated formula: C24 H46 N4 O8 S
• SMILES: S(=O)(=O)(N[C@H](C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)C(C)C)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC
• 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: 9.5629 ± 0.0006 Å
• b: 15.744 ± 0.0009 Å
• c: 21.1445 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3183.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No