Information card for entry 4126187

Structure parameters

• Formula: C31 H34 Cl14 P2 Sb2
• Calculated formula: C31 H34 Cl14 P2 Sb2
• SMILES: Cl[P+](c1ccccc1)(c1ccccc1)CCC[P+](Cl)(c1ccccc1)c1ccccc1.[Sb](Cl)(Cl)(Cl)[Cl-].[Sb]([Cl-])(Cl)(Cl)Cl.ClCCCl.ClCCCl
• Title of publication: Isolable and Readily Handled Halophosphonium Pre-reagents for Hydro- and Deuteriohalogenation.
• Authors of publication: Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 18
• Pages of publication: 6329 - 6337
• a: 14.258 ± 0.0014 Å
• b: 17.7595 ± 0.0018 Å
• c: 18.3616 ± 0.0018 Å
• α: 90°
• β: 106.098 ± 0.003°
• γ: 90°
• Cell volume: 4467.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No