Information card for entry 4122149

Structure parameters

• Formula: C55 H85 K O4 P
• Calculated formula: C54.996 H85 K O4 P
• Title of publication: A crystalline phosphaalkene radical anion.
• Authors of publication: Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 28
• Pages of publication: 9834 - 9837
• a: 33.185 ± 0.003 Å
• b: 10.8157 ± 0.0009 Å
• c: 14.5739 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5230.8 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No