Information card for entry 7218260

Structure parameters

• Formula: C26 H50 N4 O8 S
• Calculated formula: C26 H50 N4 O8 S
• SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@H]([C@H](CC)C)NS(=O)(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC
• 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: 10.551 ± 0.003 Å
• b: 15.765 ± 0.005 Å
• c: 20.395 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392.4 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No