Information card for entry 4127970

Structure parameters

• Formula: C47 H67 Al N3 P
• Calculated formula: C47 H67 Al N3 P
• Title of publication: Phosphaaluminirenes: Synthons for Main Group Heterocycles.
• Authors of publication: Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16971 - 16982
• a: 17.055 ± 0.005 Å
• b: 14.341 ± 0.004 Å
• c: 17.956 ± 0.004 Å
• α: 90°
• β: 101.073 ± 0.009°
• γ: 90°
• Cell volume: 4310 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1426
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No