Information card for entry 1573543

Structure parameters

• Formula: C27 H20 F2 O3
• Calculated formula: C27 H20 F2 O3
• Title of publication: General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene.
• Authors of publication: Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1455 - 1464
• a: 9.86943 ± 0.00017 Å
• b: 17.5275 ± 0.0003 Å
• c: 26.1199 ± 0.0005 Å
• α: 95.7908 ± 0.0014°
• β: 99.8803 ± 0.0015°
• γ: 106.339 ± 0.0016°
• Cell volume: 4218.1 ± 0.14 ų
• Cell temperature: 131 ± 19 K
• Ambient diffraction temperature: 131 ± 19 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No