Information card for entry 7159172

Structure parameters

• Chemical name: (S)-4-(tert-butyl)-3-phenyloxazolidin-2-one
• Formula: C13 H17 N O2
• Calculated formula: C13 H17 N O2
• Title of publication: Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.
• Authors of publication: Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1952 - 1957
• a: 6.2495 ± 0.0002 Å
• b: 12.573 ± 0.0003 Å
• c: 15.1106 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No