Information card for entry 4028211

Structure parameters

• Formula: C29 H25 B F2 O6
• Calculated formula: C29 H25 B F2 O6
• SMILES: C1(\C=C\c2ccc(cc2)OC)=C(C(/C=C/c2ccc(cc2)OC)=[O][B](O1)(F)F)c1ccc(cc1)C(=O)OC
• Title of publication: Synthesis and Photophysical Properties of Difluoroboron Complexes of Curcuminoid Derivatives Bearing Different Terminal Aromatic Units and a meso-Aryl Ring
• Authors of publication: Abdellah Felouat; Anthony D'Aléo; Fredéric Fages
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4446 - 4455
• a: 8.448 ± 0.001 Å
• b: 11.579 ± 0.003 Å
• c: 14.093 ± 0.004 Å
• α: 94.74 ± 0.01°
• β: 102.62 ± 0.02°
• γ: 90.301 ± 0.007°
• Cell volume: 1340.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No