Information card for entry 7123854

Structure parameters

• Formula: C3.83 H2.67 N0.33 O0.5
• Calculated formula: C3.83333 H2.66667 N0.333333 O0.5
• 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: 8.3599 ± 0.0009 Å
• b: 9.1656 ± 0.0018 Å
• c: 12.047 ± 0.002 Å
• α: 101.84 ± 0.016°
• β: 102.78 ± 0.012°
• γ: 93.053 ± 0.012°
• Cell volume: 876.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1258
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.3692
• Weighted residual factors for all reflections included in the refinement: 0.3836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No