Information card for entry 1544981
| Common name |
6-Bromo-7a-methyl-7,7a-dihydro-5H-dibenzo[b,g]fluorene-5,8,13-trione |
| Formula |
C22 H13 Br O3 |
| Calculated formula |
C22 H13 Br O3 |
| SMILES |
c12ccccc1C(=O)C1=C3C(=C(Br)C(=O)c4c3cccc4)CC1(C2=O)C |
| Title of publication |
Skeletal Rearrangements of Polycyclic α-Ketols. |
| Authors of publication |
Kawamura, Moe; Kamo, Shogo; Azuma, Shuhei; Kubo, Konomi; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori |
| Journal of publication |
Organic letters |
| Year of publication |
2017 |
| Journal volume |
19 |
| Journal issue |
2 |
| Pages of publication |
301 - 303 |
| a |
6.9248 ± 0.0004 Å |
| b |
10.1578 ± 0.0006 Å |
| c |
12.5321 ± 0.0006 Å |
| α |
75.761 ± 0.003° |
| β |
75.876 ± 0.005° |
| γ |
79.427 ± 0.005° |
| Cell volume |
821.43 ± 0.08 Å3 |
| Cell temperature |
103 ± 2 K |
| Ambient diffraction temperature |
103 ± 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 |
0.0479 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1174 |
| Weighted residual factors for all reflections included in the refinement |
0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1544981.html
