Information card for entry 7123848

Structure parameters

• Formula: C1.42 H0.86 N0.12 O0.12
• Calculated formula: C1.41538 H0.861538 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: 13.759 ± 0.0017 Å
• b: 9.4936 ± 0.0008 Å
• c: 13.7713 ± 0.0015 Å
• α: 90°
• β: 104.908 ± 0.012°
• γ: 90°
• Cell volume: 1738.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No