Information card for entry 4126944

Structure parameters

• Formula: C41 H37 Cl8 N2 O6 P
• Calculated formula: C41 H37 Cl8 N2 O6 P
• SMILES: P12(Oc3c(O1)c(Cl)c(Cl)c(Cl)c3Cl)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)C(=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(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: 16.879 ± 0.0018 Å
• b: 9.6041 ± 0.001 Å
• c: 26.349 ± 0.003 Å
• α: 90°
• β: 91.212 ± 0.003°
• γ: 90°
• Cell volume: 4270.4 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No