Information card for entry 1554979

Structure parameters

• Formula: C30 H24 F2 O5
• Calculated formula: C30 H24 F2 O5
• Title of publication: Direct methylation and carbonylation of in situ generated arynes via HDDA-Wittig coupling
• Authors of publication: Liu, Baohua; Mao, Chunyan; Hu, Qiong; Yao, Liangliang; Hu, Yimin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 2788
• a: 14.1655 ± 0.0013 Å
• b: 22.469 ± 0.002 Å
• c: 16.419 ± 0.0015 Å
• α: 90°
• β: 98.419 ± 0.001°
• γ: 90°
• Cell volume: 5169.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.3402
• Weighted residual factors for all reflections included in the refinement: 0.3959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No