Information card for entry 7046957

Structure parameters

• Formula: C19 H29 O3 P S
• Calculated formula: C19 H29 O3 P S
• Title of publication: ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.
• Authors of publication: Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10139 - 10146
• a: 10.7191 ± 0.0005 Å
• b: 13.3649 ± 0.0006 Å
• c: 14.3514 ± 0.0007 Å
• α: 90.835 ± 0.002°
• β: 100.446 ± 0.002°
• γ: 110.079 ± 0.002°
• Cell volume: 1892.43 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No