Information card for entry 7156894

Structure parameters

• Chemical name: triclinic
• Formula: C13 H11 B F2 N2 O
• Calculated formula: C13 H11 B F2 N2 O
• Title of publication: BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
• Authors of publication: Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 6497 - 6505
• a: 8.8495 ± 0.0002 Å
• b: 9.1023 ± 0.0002 Å
• c: 9.2653 ± 0.0002 Å
• α: 62.94 ± 0.002°
• β: 89.372 ± 0.002°
• γ: 69.175 ± 0.002°
• Cell volume: 610.93 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0423
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1434
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No