Information card for entry 7123855

Structure parameters

• Formula: C1.42 H0.98 N0.12 O0.12
• Calculated formula: C1.41538 H0.984615 N0.123077 O0.123077
• 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: 10.585 ± 0.003 Å
• b: 7.8514 ± 0.0018 Å
• c: 21.381 ± 0.004 Å
• α: 90°
• β: 103.63 ± 0.02°
• γ: 90°
• Cell volume: 1726.9 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No