Information card for entry 2205707
Chemical name |
12,12'-Diisobutyl-11,11'-ethylenebis(9,10-dihydro-9,10-ethenoanthracene) |
Formula |
C44 H46 |
Calculated formula |
C44 H46 |
SMILES |
CC(CC1=C(CCC2=C(CC(C)(C)C)C3c4c(C2c2ccccc32)cccc4)C2c3c(C1c1ccccc21)cccc3)(C)C |
Title of publication |
11-(2,2-Dimethylpropyl)-12-{2-[12-(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracen-11-yl]ethyl}-9,10-dihydro-9,10-ethenoanthracene |
Authors of publication |
Herres, Joeseph P.; Forman, Mark A.; Wheeler, Kraig A.; Yap, Glenn P.A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
5 |
Pages of publication |
o1223 - o1225 |
a |
9.245 ± 0.0008 Å |
b |
10.0697 ± 0.0009 Å |
c |
18.87 ± 0.002 Å |
α |
90° |
β |
102.654 ± 0.008° |
γ |
90° |
Cell volume |
1714 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
2 |
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 |
0.1336 |
Residual factor for significantly intense reflections |
0.0593 |
Weighted residual factors for significantly intense reflections |
0.1087 |
Weighted residual factors for all reflections included in the refinement |
0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2205707.html