Information card for entry 7239843

Structure parameters

• Formula: C19 H17 B F2 I2 N2 O
• Calculated formula: C19 H17 B F2 I2 N2 O
• Title of publication: Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
• Authors of publication: Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 4072 - 4079
• a: 21.8579 ± 0.0004 Å
• b: 10.5698 ± 0.0002 Å
• c: 18.2672 ± 0.0004 Å
• α: 90°
• β: 112.645 ± 0.001°
• γ: 90°
• Cell volume: 3894.98 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No