Information card for entry 1572126

Structure parameters

• Formula: C104 H83 F12 N5 O P2
• Calculated formula: C104 H83 F12 N5 O P2
• Title of publication: Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores.
• Authors of publication: Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12349 - 12360
• a: 7.2201 ± 0.0002 Å
• b: 18.5131 ± 0.0007 Å
• c: 31.5422 ± 0.0009 Å
• α: 90°
• β: 90.9593 ± 0.0017°
• γ: 90°
• Cell volume: 4215.5 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No