Information card for entry 4038349

Structure parameters

• Formula: C24 H30 N2 O3 S
• Calculated formula: C24 H30 N2 O3 S
• Title of publication: A rearrangement of 3-hydroxyazetidines into 2-oxazolines.
• Authors of publication: Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.5538 ± 0.0007 Å
• b: 21.7626 ± 0.0014 Å
• c: 10.9319 ± 0.0007 Å
• α: 90°
• β: 116.908 ± 0.002°
• γ: 90°
• Cell volume: 2239 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 120 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: 0.0572
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No