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Information card for entry 4034387
Preview
Coordinates | 4034387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H6 Br4 |
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Calculated formula | C14 H6 Br4 |
SMILES | Brc1cc2c(cc1Br)cc1cc(Br)c(Br)cc1c2 |
Title of publication | 2,3-Dihalo- and 2,3,6,7-Tetrahaloanthracenes by Vollhardt Trimerization. |
Authors of publication | Hoffmann, Hendrik; Mukanov, Diana; Ganschow, Michael; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 15 |
Pages of publication | 9826 - 9834 |
a | 6.3875 ± 0.0005 Å |
b | 15.891 ± 0.0013 Å |
c | 6.5698 ± 0.0005 Å |
α | 90° |
β | 100.771 ± 0.0011° |
γ | 90° |
Cell volume | 655.11 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0229 |
Residual factor for significantly intense reflections | 0.0193 |
Weighted residual factors for significantly intense reflections | 0.0451 |
Weighted residual factors for all reflections included in the refinement | 0.0462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4034387.html
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