Information card for entry 1503524

Structure parameters

• Formula: C15 H18 B F N2 O2
• Calculated formula: C15 H18 B F N2 O2
• SMILES: c12c(cc(C)[n]2[B](n2c(c(cc2C)C)=C1)(F)OC(=O)C)C
• Title of publication: Development of mono- and di-AcO substituted BODIPYs on the boron center.
• Authors of publication: Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 248 - 251
• a: 7.678 ± 0.006 Å
• b: 11.164 ± 0.009 Å
• c: 18.619 ± 0.013 Å
• α: 95.269 ± 0.017°
• β: 95.202 ± 0.015°
• γ: 107.487 ± 0.014°
• Cell volume: 1504 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No