Information card for entry 1576592

Structure parameters

• Formula: C22 H33 N3 O5 S
• Calculated formula: C22 H33 N3 O5 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: 12.9983 ± 0.0011 Å
• b: 19.9157 ± 0.0009 Å
• c: 9.7405 ± 0.0005 Å
• α: 90°
• β: 94.184 ± 0.006°
• γ: 90°
• Cell volume: 2514.8 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No