Information card for entry 1547696

Structure parameters

• Formula: C18 H13 I N2 O4
• Calculated formula: C18 H13 I N2 O4
• SMILES: Ic1ccc(N2C[C@@H](OC2=O)CN2C(=O)c3ccccc3C2=O)cc1
• Title of publication: Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides.
• Authors of publication: Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5786 - 5789
• a: 7.854 ± 0.004 Å
• b: 11.693 ± 0.005 Å
• c: 18.074 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1659.9 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0222
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No