Information card for entry 7133185

Structure parameters

• Formula: C24 H21 Cl N2 O3
• Calculated formula: C24 H21 Cl N2 O3
• 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: 9.6896 ± 0.0005 Å
• b: 10.1998 ± 0.0005 Å
• c: 10.8323 ± 0.0006 Å
• α: 89.99 ± 0.002°
• β: 71.675 ± 0.002°
• γ: 84.875 ± 0.002°
• Cell volume: 1011.78 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No