Information card for entry 7123308

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• Title of publication: 4-Hydroxymethyl-Substituted Oxazolidinone Synthesis by Tetraarylphosphonium Salt-Catalyzed Reactions of Glycidols with Isocyanates
• Authors of publication: Toda, Yasunori; Tanaka, Shoya; Gomyou, Shuto; Kikuchi, Ayaka; Suga, Hiroyuki
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.2939 ± 0.0014 Å
• b: 12.2676 ± 0.0012 Å
• c: 5.9589 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1044.9 ± 0.18 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No