Information card for entry 1503525

Structure parameters

• Formula: C17 H21 B N2 O4
• Calculated formula: C17 H21 B N2 O4
• 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: 15.8268 ± 0.0002 Å
• b: 14.2082 ± 0.0003 Å
• c: 8.8506 ± 0.0002 Å
• α: 90°
• β: 116.466 ± 0.002°
• γ: 90°
• Cell volume: 1781.66 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No