Information card for entry 7156891

Structure parameters

• Formula: C9 H8 B F2 N O3
• Calculated formula: C9 H8 B F2 N O3
• 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: 7.0433 ± 0.0004 Å
• b: 11.562 ± 0.0008 Å
• c: 11.6118 ± 0.0008 Å
• α: 90°
• β: 90.857 ± 0.005°
• γ: 90°
• Cell volume: 945.5 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.3423
• Weighted residual factors for all reflections included in the refinement: 0.3485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.567
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No