Information card for entry 7160109

Structure parameters

• Formula: C44.5 H55.25 B3 F2 N2.75 O4
• Calculated formula: C44.5 H55.25 B3 F2 N2.75 O4
• Title of publication: BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.
• Authors of publication: Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 36
• Pages of publication: 7448 - 7459
• a: 13.7645 ± 0.0006 Å
• b: 26.9797 ± 0.0011 Å
• c: 11.5721 ± 0.0004 Å
• α: 90°
• β: 93.3297 ± 0.0015°
• γ: 90°
• Cell volume: 4290.2 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No