Information card for entry 7048639

Structure parameters

• Formula: C69 H105 N3 P3
• Calculated formula: C69 H105 N3 P3
• Title of publication: Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation.
• Authors of publication: Chen, Xiaodan; Hinz, Alexander; Harmer, Jeffrey R.; Li, Zhongshu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2549 - 2553
• a: 9.5093 ± 0.0002 Å
• b: 27.8801 ± 0.0005 Å
• c: 24.3205 ± 0.0005 Å
• α: 90°
• β: 97.661 ± 0.002°
• γ: 90°
• Cell volume: 6390.3 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1257
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.314
• Weighted residual factors for all reflections included in the refinement: 0.3215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No