Information card for entry 4127972

Structure parameters

• Formula: C40 H56.25 Al N2 P Se
• Calculated formula: C40 H56 Al N2 P Se
• 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: 19.903 ± 0.004 Å
• b: 18.583 ± 0.003 Å
• c: 10.166 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3760 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No