Information card for entry 7161047

Structure parameters

• Formula: C33 H33 B N2 O
• Calculated formula: C33 H33 B N2 O
• Title of publication: Dynamic N–>B Coordination and Anion-selective Turn-On Fluorescence in Oxadiazole-functionalized Organoboranes
• Authors of publication: Schepper, Jonas; Orthaber, Andreas; Pammer, Frank
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 9.7571 ± 0.0005 Å
• b: 11.17 ± 0.0007 Å
• c: 14.0701 ± 0.0009 Å
• α: 99.257 ± 0.005°
• β: 101.748 ± 0.005°
• γ: 108.129 ± 0.005°
• Cell volume: 1384.76 ± 0.16 ų
• Cell temperature: 301.9 ± 0.6 K
• Ambient diffraction temperature: 301.9 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No