Information card for entry 7123853

Structure parameters

• Formula: C2.59 H1.62 Cl0.22 F0.11 N0.22 O0.11
• Calculated formula: C2.48649 H1.62162 Cl0.216216 F0.108108 N0.216216 O0.108108
• Title of publication: Palladium-Catalyzed Decarbonylative Annulation of Phthalimides with Arynes: Direct Construction of Phenanthridinones
• Authors of publication: Meng, Yan-Yu; Si, Xiao-Ju; Song, Yuan-Yuan; Zhou, Hui-Min; Xu, Fen
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.9904 ± 0.0004 Å
• b: 7.6164 ± 0.0002 Å
• c: 18.5537 ± 0.0005 Å
• α: 90°
• β: 99.644 ± 0.002°
• γ: 90°
• Cell volume: 1949.08 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No