Information card for entry 7133221

Structure parameters

• Formula: C41 H35 Cl3 N0.5 O5 P
• Calculated formula: C40 H36 Cl3 N2 O4 P
• Title of publication: Electrochemical synthesis of phosphorylated azaspiro[4.5]di/trienones through dearomative spirocyclization.
• Authors of publication: Zhou, Xiaocong; Wang, Jian; Ma, Dumei; Shen, Yirui; Zhao, Yufen; Wu, Ju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 57
• Pages of publication: 7351 - 7354
• a: 11.7184 ± 0.0002 Å
• b: 12.545 ± 0.0002 Å
• c: 14.696 ± 0.0002 Å
• α: 101.781 ± 0.001°
• β: 98.985 ± 0.001°
• γ: 114.481 ± 0.001°
• Cell volume: 1853.15 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No