Information card for entry 7233739

Structure parameters

• Formula: C21 H19 B F2 O4
• Calculated formula: C21 H19 B F2 O4
• SMILES: C1=C(/C=C/c2ccc(cc2)OC)O[B]([O]=C1/C=C/c1ccc(cc1)OC)(F)F
• Title of publication: Two-photon excited fluorescence of BF2 complexes of curcumin analogues: toward NIR-to-NIR fluorescent organic nanoparticles
• Authors of publication: Anthony D'Aleo; Abdellah Felouat; Vasile Heresanu; Alain Ranguis; Damien Chaudanson; Artak Karapetyan; Michel Giorgi; Frederic Fages
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 5208 - 5215
• a: 11.1429 ± 0.0004 Å
• b: 14.0177 ± 0.0004 Å
• c: 14.2677 ± 0.0005 Å
• α: 73.452 ± 0.001°
• β: 68.556 ± 0.001°
• γ: 69.722 ± 0.001°
• Cell volume: 1913.58 ± 0.11 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: 0.1912
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No