Information card for entry 7121658

Structure parameters

• Formula: C52 H39 B F15 O2 P
• Calculated formula: C52 H39 B F15 O2 P
• Title of publication: Homolytic cleavage of peroxide bonds via a single electron transfer of a frustrated Lewis pair.
• Authors of publication: Liu, Liu Leo; Cao, Levy L.; Zhu, Diya; Zhou, Jiliang; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 54
• Pages of publication: 7431 - 7434
• a: 13.04 ± 0.004 Å
• b: 17.682 ± 0.006 Å
• c: 20.467 ± 0.007 Å
• α: 90°
• β: 99.613 ± 0.007°
• γ: 90°
• Cell volume: 4653 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No