Information card for entry 7124203

Structure parameters

• Formula: C16 H18 N2 O4
• Calculated formula: C16 H18 N2 O4
• Title of publication: A formal (5+1) annulation reaction from heterodimerization of two different isocyanides: stereoselective synthesis of 2H-benzo[b][1,4]oxazin-2-one
• Authors of publication: Li, Jian; Su, Shikuan; Hu, Jie; Cui, Yongmei; Tang, Chongrong; Chen, Yali
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.2327 ± 0.0003 Å
• b: 14.7102 ± 0.0005 Å
• c: 11.8386 ± 0.0004 Å
• α: 90°
• β: 107.188 ± 0.001°
• γ: 90°
• Cell volume: 1536.05 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No