Information card for entry 7123975

Structure parameters

• Formula: C50 H38 O4
• Calculated formula: C50 H38 O4
• Title of publication: Chiral double stapled o-OPEs with intense circularly polarized luminescence
• Authors of publication: Reine, Pablo; Campaña, Araceli G.; Alvarez de Cienfuegos, Luis; Blanco, Victor; Abbate, Sergio; Mota, Antonio J.; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan Manuel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.6708 ± 0.0003 Å
• b: 20.4338 ± 0.0006 Å
• c: 17.7611 ± 0.0006 Å
• α: 90°
• β: 104.773 ± 0.002°
• γ: 90°
• Cell volume: 3744.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No