Information card for entry 7160177

Structure parameters

• Formula: C23 H19 N O3
• Calculated formula: C23 H19 N O3
• Title of publication: Palladium-Catalyzed C-H Bond Activation and Decarboxylation for the Assembly of Indolo[1,2-f]phenanthridine
• Authors of publication: Liu, Xiaobing; Ban, Yong-Liang; Liu, Yanjie; Zhuang, Mengdie; Zhou, Yao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 14.5848 ± 0.0015 Å
• b: 8.7233 ± 0.001 Å
• c: 15.8098 ± 0.0018 Å
• α: 90°
• β: 115.796 ± 0.013°
• γ: 90°
• Cell volume: 1811 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.1262
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No