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Information card for entry 1503524
Preview
Coordinates | 1503524.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 B F N2 O2 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503524.html
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Users of the data should acknowledge the original authors of the
structural data.