Information card for entry 7159118

Structure parameters

• Chemical name: 2,2-difluoro-4,6-bis((E)-4-methoxystyryl)-2H-1l3,3,2l4-dioxaborinine
• Formula: C23 H23 B F2 O4.5
• Calculated formula: C23 H23 B F2 O4.5
• Title of publication: Curcumin-based molecular probes for fluorescence imaging of fungi
• Authors of publication: Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1531 - 1536
• a: 8.84 ± 0.02 Å
• b: 10.7 ± 0.03 Å
• c: 11.53 ± 0.03 Å
• α: 66.33 ± 0.05°
• β: 75.73 ± 0.07°
• γ: 85.18 ± 0.05°
• Cell volume: 968 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No