Information card for entry 7135381

Structure parameters

• Formula: C26 H27 N O4 S
• Calculated formula: C26 H27 N O4 S
• Title of publication: Diastereoselective intramolecular <i>O</i>-allylation with alkynes using palladium/Brønsted acid combined catalysis: access to substituted chiral oxazolidines.
• Authors of publication: Khaitan, Bhavya; Panda, Sangram Keshari; Gandhi, Shikha
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 18
• Pages of publication: 5289 - 5292
• a: 7.36 ± 0.005 Å
• b: 10.914 ± 0.005 Å
• c: 28.239 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2268.4 ± 1.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0293
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0376
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No