Information card for entry 7156895

Structure parameters

• Chemical name: RCS-48
• Formula: C16 H11 B F2 N2 O
• Calculated formula: C16 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: 7.0792 ± 0.0004 Å
• b: 7.4313 ± 0.0004 Å
• c: 26.3653 ± 0.0014 Å
• α: 90°
• β: 96.772 ± 0.005°
• γ: 90°
• Cell volume: 1377.34 ± 0.13 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No