Information card for entry 7156995

Structure parameters

• Formula: C18 H16 Br2 N2 O3
• Calculated formula: C18 H16 Br2 N2 O3
• Title of publication: An efficient synthesis of oxazolines via a cascade reaction between azaoxyallyl cations and 1,2-benzisoxazoles.
• Authors of publication: Sun, Li; Liu, Yi; Wang, Yankai; Li, Yuanyuan; Liu, Zhiwen; Lu, Tao; Li, Wenhai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 7526 - 7530
• a: 5.574 ± 0.0011 Å
• b: 12.623 ± 0.003 Å
• c: 14.179 ± 0.003 Å
• α: 110.91 ± 0.03°
• β: 95.03 ± 0.03°
• γ: 95.13 ± 0.03°
• Cell volume: 920.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2092
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No