Information card for entry 1571401

Structure parameters

• Formula: C25 H25 B F4 N O P
• Calculated formula: C25 H25 B F4 N O P
• Title of publication: Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.
• Authors of publication: Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6515 - 6521
• a: 10.8146 ± 0.0001 Å
• b: 14.7684 ± 0.0002 Å
• c: 15.0422 ± 0.0002 Å
• α: 90°
• β: 93.05 ± 0.001°
• γ: 90°
• Cell volume: 2399.05 ± 0.05 ų
• Cell temperature: 303.33 ± 0.1 K
• Ambient diffraction temperature: 303.33 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No