Information card for entry 4072025

Structure parameters

• Formula: C45 H65 P3 S4
• Calculated formula: C45 H65 P3 S4
• SMILES: S1P2(SP1(=S)C(=P(=C2c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cc1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=S
• Title of publication: Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†
• Authors of publication: Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5118
• a: 38.65 ± 0.009 Å
• b: 11.962 ± 0.003 Å
• c: 39.259 ± 0.015 Å
• α: 90°
• β: 92.036 ± 0.003°
• γ: 90°
• Cell volume: 18139 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1982
• Residual factor for significantly intense reflections: 0.1844
• Weighted residual factors for significantly intense reflections: 0.422
• Weighted residual factors for all reflections included in the refinement: 0.4252
• Goodness-of-fit parameter for all reflections included in the refinement: 2.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No