Information card for entry 4126941

Structure parameters

• Formula: C29 H37 N2 O2 P
• Calculated formula: C29 H37 N2 O2 P
• SMILES: P1=C(C21N(C(=O)C(C)(C)C(=O)N2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C(C)(C)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: 8.209 ± 0.005 Å
• b: 10.724 ± 0.005 Å
• c: 15.454 ± 0.008 Å
• α: 77.642 ± 0.014°
• β: 89.114 ± 0.017°
• γ: 86.724 ± 0.016°
• Cell volume: 1326.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No