Information card for entry 7121785

Structure parameters

• Formula: C29 H18 F N O3
• Calculated formula: C29 H18 F N O3
• Title of publication: Transition-metal-free insertion reactions of alkynes into the C-N σ-bonds of imides: synthesis of substituted enamides or chromones.
• Authors of publication: Zheng, Zhong; Wang, Ye; Xu, Murong; Kong, Lingkai; Wang, Mengdan; Li, Yanzhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 48
• Pages of publication: 6192 - 6195
• a: 7.5691 ± 0.001 Å
• b: 11.0082 ± 0.0013 Å
• c: 26.381 ± 0.003 Å
• α: 90°
• β: 93.532 ± 0.003°
• γ: 90°
• Cell volume: 2193.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No