Information card for entry 7124808

Structure parameters

• Formula: C60 H62 Au Cl P S3
• Calculated formula: C60 H62 Au Cl P S3
• Title of publication: The synthesis of substituted phosphathiahelicenes via regioselective bromination of a preformed helical scaffold: a new approach to modular ligands for enantioselective gold-catalysis.
• Authors of publication: Aillard, Paul; Dova, Davide; Magné, Valentin; Retailleau, Pascal; Cauteruccio, Silvia; Licandro, Emanuela; Voituriez, Arnaud; Marinetti, Angela
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 73
• Pages of publication: 10984 - 10987
• a: 9.8334 ± 0.0014 Å
• b: 21.319 ± 0.003 Å
• c: 12.7266 ± 0.0018 Å
• α: 90°
• β: 95.59 ± 0.007°
• γ: 90°
• Cell volume: 2655.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2175
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No