Information card for entry 4126943

Structure parameters

• Formula: C42 H45 Cl4 N2 O4 P
• Calculated formula: C42 H45 Cl4 N2 O4 P
• SMILES: Clc1c2OP(Oc2c(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.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: 9.814 ± 0.003 Å
• b: 12.14 ± 0.005 Å
• c: 17.306 ± 0.006 Å
• α: 77.489 ± 0.011°
• β: 75.254 ± 0.009°
• γ: 85.778 ± 0.01°
• Cell volume: 1946.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1909
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No