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Information card for entry 4030038
Preview
Coordinates | 4030038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 B Cl2 F2 N2 O4 Si |
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Calculated formula | C24 H29 B Cl2 F2 N2 O4 Si |
SMILES | [Si](C#CC1=c2[n](c(Cl)c(c2CCC(=O)OC)C)[B](F)(F)n2c1c(c(c2Cl)C)CCC(=O)OC)(C)(C)C |
Title of publication | Functionalization of 3,5,8-Trichlorinated BODIPY Dyes. |
Authors of publication | Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 10342 |
a | 12.2118 ± 0.0006 Å |
b | 11.8622 ± 0.0005 Å |
c | 19.9913 ± 0.001 Å |
α | 90° |
β | 106.216 ± 0.002° |
γ | 90° |
Cell volume | 2780.7 ± 0.2 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0607 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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