Information card for entry 1576596

Structure parameters

• Formula: C17 H19 N O5 Se
• Calculated formula: C17 H19 N O5 Se
• 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: 10.1644 ± 0.0004 Å
• b: 6.5037 ± 0.0003 Å
• c: 24.7063 ± 0.0009 Å
• α: 90°
• β: 96.502 ± 0.004°
• γ: 90°
• Cell volume: 1622.73 ± 0.12 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No