Information card for entry 7133184

Structure parameters

• Formula: C26 H21 N O4
• Calculated formula: C26 H21 N O4
• Title of publication: Catalyst-free reaction of 2-(4H-benzo[d][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles
• Authors of publication: Wang, Tao; Lu, Zhongyue; Li, Pengfei
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 6.9055 ± 0.0004 Å
• b: 21.4299 ± 0.0011 Å
• c: 27.6189 ± 0.0015 Å
• α: 90°
• β: 92.031 ± 0.002°
• γ: 90°
• Cell volume: 4084.6 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No