Information card for entry 7156893

Structure parameters

• Chemical name: NKS_RCS_ALA
• Formula: C12 H14 B F2 N O3
• Calculated formula: C12 H14 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: 13.5273 ± 0.0005 Å
• b: 7.7581 ± 0.0004 Å
• c: 24.7812 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2600.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2806
• Weighted residual factors for all reflections included in the refinement: 0.3336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No