Information card for entry 7048641

Structure parameters

• Formula: C58 H70 D12 N2 O2 P2
• Calculated formula: C58 H70 D12 N2 O2 P2
• 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: 29.4871 ± 0.0013 Å
• b: 10.2236 ± 0.0002 Å
• c: 22.3739 ± 0.001 Å
• α: 90°
• β: 131.533 ± 0.007°
• γ: 90°
• Cell volume: 5049.1 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No