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Information card for entry 1502015
Preview
Coordinates | 1502015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H14 Br4 |
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Calculated formula | C26 H14 Br4 |
SMILES | Brc1ccc2C(=C(c3ccc(Br)cc3)c3ccc(Br)cc3)c3ccc(Br)cc3c2c1 |
Title of publication | Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant. |
Authors of publication | Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 1634 - 1637 |
a | 20.7871 ± 0.0003 Å |
b | 9.92103 ± 0.00017 Å |
c | 22.1583 ± 0.0003 Å |
α | 90° |
β | 97.5244 ± 0.0014° |
γ | 90° |
Cell volume | 4530.35 ± 0.12 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1101 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.7107 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/1502015.html
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