Information card for entry 7160348

Structure parameters

• Formula: C14 H19 N O5 S
• Calculated formula: C14 H19 N O5 S
• Title of publication: Chemodivergent synthesis of <i>cis</i>-4-hydroxyprolines from diastereomerically enriched epoxides.
• Authors of publication: DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Kara Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert V
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 4616 - 4621
• a: 11.497 ± 0.0017 Å
• b: 20.881 ± 0.003 Å
• c: 6.4271 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.9 ± 0.4 ų
• Cell temperature: 99.97 ± 0.16 K
• Ambient diffraction temperature: 99.97 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No