Information card for entry 7160983

Structure parameters

• Formula: C34 H35 N O2
• Calculated formula: C34 H35 N O2
• Title of publication: Palladium-Catalyzed Cascade Double Annulation Reaction to Access Unsymmetrical Di(heteroaryl)methanes
• Authors of publication: Cai, Xing; Zhu, Huixuan; Feng, Xueli; Deng, Hui; Li, Furong; Gao, Fan; Li, Jiaxin; Zhang, Jingli
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 9.7589 ± 0.0004 Å
• b: 10.2067 ± 0.0004 Å
• c: 13.8927 ± 0.0005 Å
• α: 83.211 ± 0.002°
• β: 89.263 ± 0.001°
• γ: 74.333 ± 0.002°
• Cell volume: 1322.78 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No