Information card for entry 7153588

Structure parameters

• Common name: 1i
• Formula: C15 H11 B F2 O4
• Calculated formula: C15 H11 B F2 O4
• SMILES: [B]1(F)(F)[O]=C(/C=C/c2ccco2)C=C(/C=C/c2ccco2)O1
• 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: 7.3288 ± 0.0007 Å
• b: 19.338 ± 0.002 Å
• c: 10.3913 ± 0.0011 Å
• α: 90°
• β: 103.117 ± 0.001°
• γ: 90°
• Cell volume: 1434.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No