Information card for entry 7218259

Structure parameters

• Formula: C24 H46 N4 O8 S
• Calculated formula: C24 H46 N4 O8 S
• SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](C(C)C)NS(=O)(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OC)CC(C)C
• Title of publication: Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides
• Authors of publication: Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 10371
• a: 9.1689 ± 0.0004 Å
• b: 15.824 ± 0.0005 Å
• c: 21.6607 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3142.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1329
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No