Information card for entry 7122623

Structure parameters

• Formula: C82 H75 F3 O10 S3 Zn0.5
• Calculated formula: C73 H50 F3 O10 S3 Zn0.5
• Title of publication: OFF/ON switching of circularly polarized luminescence by oxophilic interaction of homochiral sulfoxide-containing o-OPEs with metal cations.
• Authors of publication: Reiné, Pablo; Ortuño, Ana M; Resa, Sandra; Álvarez de Cienfuegos, Luis; Blanco, Victor; Ruedas-Rama, M José; Mazzeo, Giuseppe; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Guisán-Ceinos, Santiago; Ribagorda, Maria; Campaña, Araceli G; Mota, Antonio; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 99
• Pages of publication: 13985 - 13988
• a: 28.5163 ± 0.0015 Å
• b: 9.9416 ± 0.0005 Å
• c: 26.6193 ± 0.0013 Å
• α: 90°
• β: 110.609 ± 0.003°
• γ: 90°
• Cell volume: 7063.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2528
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No