Information card for entry 4126942

Structure parameters

• Formula: C32.5 H41 N2 O2 P
• Calculated formula: C32.5 H41 N2 O2 P
• SMILES: P1(N2C(=C1C(C)(C)C)N(C(=O)C(C2=O)(C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C
• Title of publication: A Transient Vinylphosphinidene via a Phosphirene-Phosphinidene Rearrangement.
• Authors of publication: Liu, Liu Leo; Zhou, Jiliang; Cao, Levy L.; Andrews, Ryan; Falconer, Rosalyn L.; Russell, Christopher A.; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.547 ± 0.002 Å
• b: 32.301 ± 0.008 Å
• c: 10.629 ± 0.003 Å
• α: 90°
• β: 91.684 ± 0.003°
• γ: 90°
• Cell volume: 2933.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No