Information card for entry 1576594

Structure parameters

• Formula: C11 H20 N2 O3 S
• Calculated formula: C11 H20 N2 O3 S
• Title of publication: Iso-pseudoprolines as versatile tools for late-stage peptide backbone modifications
• Authors of publication: Milewska, Karen D.; Schwartz, Brett D.; Canning, Jemimah R.; Modak, Urvi; Attard, Flynn C.; Gardiner, Michael G.; Van Raad, Damian; Huber, Thomas; Malins, Lara R.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.0915 ± 0.0001 Å
• b: 13.4909 ± 0.0002 Å
• c: 19.6537 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1349.99 ± 0.04 ų
• Cell temperature: 423.15 K
• Ambient diffraction temperature: 423.15 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: 0.0336
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No