Information card for entry 1504212

Structure parameters

• Formula: C17 H15 B F4 O3
• Calculated formula: C17 H15 B F4 O3
• SMILES: [o+]1cc2c(cc1c1ccccc1)cc(OC)c(OC)c2.[B](F)(F)(F)[F-]
• Title of publication: Transformation of reactive isochromenylium intermediates to stable salts and their cascade reactions with olefins.
• Authors of publication: Hu, Zhi-Long; Qian, Wen-Jian; Wang, Sheng; Wang, Shaozhong; Yao, Zhu-Jun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4676 - 4679
• a: 12.7974 ± 0.0017 Å
• b: 7.6261 ± 0.001 Å
• c: 17.351 ± 0.002 Å
• α: 90°
• β: 105.01 ± 0.003°
• γ: 90°
• Cell volume: 1635.6 ± 0.4 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: 0.1147
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No