Information card for entry 7242066

Structure parameters

• Formula: C14 H12 F N O4 S
• Calculated formula: C14 H12 F N O4 S
• Title of publication: Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
• Authors of publication: Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 1136 - 1139
• a: 6.182 ± 0.0007 Å
• b: 7.343 ± 0.0007 Å
• c: 15.4344 ± 0.0009 Å
• α: 97.694 ± 0.006°
• β: 93.323 ± 0.007°
• γ: 97.422 ± 0.009°
• Cell volume: 686.49 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No