Information card for entry 7128185

Structure parameters

• Formula: C55.5 H75.5 Cl N6 P S
• Calculated formula: C55.5 H75.5 Cl N6 P S
• Title of publication: Lewis base-free thiophosphonium ion: a cationic sulfur atom transfer reagent.
• Authors of publication: Löwe, Pawel; Witteler, Tim; Dielmann, Fabian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 41
• Pages of publication: 5043 - 5046
• a: 12.5153 ± 0.0003 Å
• b: 20.6933 ± 0.0004 Å
• c: 21.869 ± 0.0005 Å
• α: 97.8224 ± 0.001°
• β: 104.482 ± 0.001°
• γ: 96.7163 ± 0.0011°
• Cell volume: 5365 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0495
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No