Information card for entry 7157688

Structure parameters

• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• Title of publication: Regioselectivity of the trifluoroethanol-promoted intramolecular <i>N</i>-Boc-epoxide cyclization towards 1,3-oxazolidin-2-ones and 1,3-oxazinan-2-ones.
• Authors of publication: Borgohain, Hemi; Talukdar, Kangkan; Sarma, Bipul; Das, Sajal Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 37
• Pages of publication: 7401 - 7413
• a: 7.313 ± 0.001 Å
• b: 9.4042 ± 0.0012 Å
• c: 9.8866 ± 0.0013 Å
• α: 97.32 ± 0.007°
• β: 95.213 ± 0.007°
• γ: 94.533 ± 0.007°
• Cell volume: 668.77 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No