Information card for entry 7133223

Structure parameters

• Formula: C29 H24 Cl4 F N O2 P
• Calculated formula: C29 H24 Cl4 N O3 P
• Title of publication: Electrochemical Synthesis of Phosphorylated Azaspiro[4.5]di/trienones through Dearomative Spirocyclization
• Authors of publication: Zhou, Xiaocong; Wang, Jian; Shen, Yirui; Ma, Dumei; Zhao, Yufen; Wu, Ju
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.835 ± 0.0002 Å
• b: 12.7978 ± 0.0002 Å
• c: 20.779 ± 0.0004 Å
• α: 81.75 ± 0.001°
• β: 80.192 ± 0.001°
• γ: 89.486 ± 0.001°
• Cell volume: 2809.45 ± 0.09 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No