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Information card for entry 1517881
Preview
| Coordinates | 1517881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 F18 Li2 O2 |
|---|---|
| Calculated formula | C26 H24 F18 Li2 O2 |
| SMILES | FC1([F][Li]234([F]C(F)(F)c5[c]62c(cc(c5)C(F)(F)F)C([F][Li]246([F]C(F)(F)c4[c]32c1cc(c4)C(F)(F)F)[O](CC)CC)(F)F)[O](CC)CC)F |
| Title of publication | Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups |
| Authors of publication | Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 308 |
| a | 9.0486 ± 0.0005 Å |
| b | 12.7853 ± 0.0007 Å |
| c | 14.6892 ± 0.0008 Å |
| α | 84.024 ± 0.002° |
| β | 74.906 ± 0.002° |
| γ | 69.739 ± 0.002° |
| Cell volume | 1539.05 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0614 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517881.cif |
| 130975 | 2015-02-04 | cif/ Updating files of 1517881, 1517882, 1517883, 1517884, 1517885 Original log message: Adding full bibliography for 1517881--1517885.cif. |
1517881.cif |
| 124466 | 2014-10-02 | cif/ Adding structures of 1517881, 1517882, 1517883, 1517884, 1517885 via cif-deposit CGI script. |
1517881.cif |
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Users of the data should acknowledge the original authors of the
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