Information card for entry 7156982

Structure parameters

• Formula: C42 H43.25 B F2 N5 O8 S
• Calculated formula: C42 H43.25 B F2 N5 O8 S
• Title of publication: An unprecedented oxidised julolidine-BODIPY conjugate and its application in real-time ratiometric fluorescence sensing of sulfite.
• Authors of publication: Sirbu, D.; Zeng, L.; Waddell, P. G.; Benniston, A. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 7360 - 7368
• a: 8.04807 ± 0.00016 Å
• b: 20.9106 ± 0.0006 Å
• c: 25.9109 ± 0.0008 Å
• α: 109.598 ± 0.003°
• β: 95.323 ± 0.002°
• γ: 99.3812 ± 0.0019°
• Cell volume: 4001.7 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0619
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No