Information card for entry 7209200

Structure parameters

• Formula: C10 H11 N O2
• Calculated formula: C10 H11 N O2
• SMILES: O=C1OCCN1Cc1ccccc1
• Title of publication: Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones
• Authors of publication: Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao
• Journal of publication: Green Chemistry
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 425
• a: 5.955 ± 0.003 Å
• b: 7.46 ± 0.003 Å
• c: 19.878 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 883.1 ± 0.7 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No