Information card for entry 4038151

Structure parameters

• Formula: C29 H26 F N O5 S
• Calculated formula: C29 H26 F N O5 S
• Title of publication: Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.
• Authors of publication: Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 56.287 ± 0.011 Å
• b: 11.896 ± 0.002 Å
• c: 16.142 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10809 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No