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Information card for entry 4030044
Preview
Coordinates | 4030044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 B Cl F2 N2 O4 Si2 |
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Calculated formula | C29 H38 B Cl F2 N2 O4 Si2 |
SMILES | [Si](C#CC1=c2[n](c(Cl)c(c2CCC(=O)OC)C)[B](F)(F)n2c1c(c(c2C#C[Si](C)(C)C)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 | 12.9614 ± 0.0008 Å |
b | 11.0262 ± 0.0006 Å |
c | 23.1458 ± 0.0014 Å |
α | 90° |
β | 104.62 ± 0.003° |
γ | 90° |
Cell volume | 3200.8 ± 0.3 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 | 0.0616 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.1379 |
Weighted residual factors for all reflections included in the refinement | 0.1477 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4030044.html
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