Information card for entry 7160108

Structure parameters

• Formula: C32 H31 B Br2 Cl2 F2 N2
• Calculated formula: C31.999 H30.998 B Br2 Cl1.998 F2 N2
• 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: 10.9103 ± 0.0004 Å
• b: 12.9379 ± 0.0005 Å
• c: 13.0853 ± 0.0006 Å
• α: 109.188 ± 0.002°
• β: 114.396 ± 0.0014°
• γ: 95.4451 ± 0.0015°
• Cell volume: 1530.52 ± 0.11 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No