Information card for entry 7133186

Structure parameters

• Formula: C34 H30 N2 O3
• Calculated formula: C34 H30 N2 O3
• Title of publication: Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][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 (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 54
• Pages of publication: 6933 - 6936
• a: 11.847 ± 0.0007 Å
• b: 18.1061 ± 0.001 Å
• c: 13.0266 ± 0.0007 Å
• α: 90°
• β: 95.964 ± 0.002°
• γ: 90°
• Cell volume: 2779.1 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No