Information card for entry 7236781

Structure parameters

• Common name: Boron diketonate
• Chemical name: 4BMBF
• Formula: C11 H11 B F2 O3 S
• Calculated formula: C11 H11 B F2 O3 S
• Title of publication: One-pot synthesis of boron diketonate complexes: photophysical properties and sensor for picric acid
• Authors of publication: Sriram Babu, Seenivasagaperumal; Shanmugam, Sivakumar
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 19
• Pages of publication: 4788
• a: 7.963 ± 0.0018 Å
• b: 8.0155 ± 0.0018 Å
• c: 10.948 ± 0.002 Å
• α: 103.904 ± 0.004°
• β: 101.576 ± 0.004°
• γ: 113.133 ± 0.005°
• Cell volume: 588.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No