Information card for entry 2213288
Chemical name |
5,6,11,12-Tetrahydro-5,11-bis(bromoacetyl)- 5,12[1',2']:6,11[1'',2'']dibenzenodibenzo[a,e]cyclooctene |
Formula |
C32 H22 Br2 O2 |
Calculated formula |
C32 H22 Br2 O2 |
SMILES |
BrCC(=O)C12c3ccccc3C(c3c1cccc3)C1(c3c(C2c2ccccc12)cccc3)C(=O)CBr |
Title of publication |
9-(Bromoacetyl)anthracene dimer |
Authors of publication |
Kubo, Kanji; Matsumoto, Taisuke; Ideta, Keiko; Watanabe, Kenichiro; Sakurai, Tadamitsu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
5 |
Pages of publication |
o2609 - o2610 |
a |
7.9044 ± 0.0018 Å |
b |
9.1861 ± 0.0017 Å |
c |
9.4138 ± 0.0017 Å |
α |
66.648 ± 0.009° |
β |
75.696 ± 0.01° |
γ |
83.656 ± 0.011° |
Cell volume |
608 ± 0.2 Å3 |
Cell temperature |
153.1 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 significantly intense reflections |
0.036 |
Weighted residual factors for all reflections included in the refinement |
0.074 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2213288.html