Information card for entry 7039096

Structure parameters

• Formula: C18 H10 Cl5 P
• Calculated formula: C18 H10 Cl5 P
• SMILES: P(c1ccccc1)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1
• Title of publication: Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.
• Authors of publication: Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14651 - 14657
• a: 10.8832 ± 0.0006 Å
• b: 11.057 ± 0.0005 Å
• c: 29.4458 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3543.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.95 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8411
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No