Information card for entry 7153589

Structure parameters

• Common name: 1j
• Formula: C23 H19 B F2 O2
• Calculated formula: C23 H19 B F2 O2
• SMILES: c1cccc(/C=C/C=C/C2=CC(/C=C/C=C/c3ccccc3)=[O][B](F)(F)O2)c1
• Title of publication: Syntheses and photophysical properties of BF2 complexes of curcumin analogues.
• Authors of publication: Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1618 - 1626
• a: 16.957 ± 0.002 Å
• b: 11.8082 ± 0.0016 Å
• c: 9.9913 ± 0.0014 Å
• α: 90°
• β: 95.18 ± 0.002°
• γ: 90°
• Cell volume: 1992.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No