Information card for entry 2200450
| Chemical name |
2-Bromo-5,5-dimethoxybenzo[a]anthracene-6,7,12(5H)trione |
| Formula |
C20 H13 Br O5 |
| Calculated formula |
C20 H13 Br O5 |
| SMILES |
Brc1cc2c(cc1)C(OC)(OC)C(=O)C1=C2C(=O)c2c(C1=O)cccc2 |
| Title of publication |
2-Bromobenz[<i>a</i>]anthracene-5,6,7,12-tetraone-5-dimethylketal |
| Authors of publication |
Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Dey, Satyajit; Mal, Dipakranjan; Nigam, Gur Dayal |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2001 |
| Journal volume |
57 |
| Journal issue |
9 |
| Pages of publication |
o825 - o826 |
| a |
7.7414 ± 0.0001 Å |
| b |
10.3084 ± 0.0001 Å |
| c |
10.9583 ± 0.0002 Å |
| α |
74.415 ± 0.001° |
| β |
78.835 ± 0.001° |
| γ |
81.192 ± 0.001° |
| Cell volume |
821.65 ± 0.02 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.092 |
| Residual factor for significantly intense reflections |
0.066 |
| Weighted residual factors for all reflections included in the refinement |
0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.94 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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