Information card for entry 7226518

Structure parameters

• Formula: C18 H14 B F2 N O S
• Calculated formula: C18 H14 B F2 N O S
• SMILES: S(c1c([N]2=Cc3c(O[B]2(F)F)ccc2c3cccc2)cccc1)C
• Title of publication: Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application
• Authors of publication: Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 89
• Pages of publication: 85838
• a: 10.661 ± 0.002 Å
• b: 11.234 ± 0.002 Å
• c: 25.712 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3079.4 ± 1 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No