Information card for entry 2008549
Chemical name |
4b-acetyl-8b,8c-dibenzoyl-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene |
Formula |
C32 H22 O3 |
Calculated formula |
C32 H22 O3 |
SMILES |
O=C([C@]12c3ccccc3[C@@H]3[C@](c4c1cccc4)([C@]23C(=O)c1ccccc1)C(=O)c1ccccc1)C.O=C([C@@]12c3ccccc3[C@H]3[C@@](c4c1cccc4)([C@@]23C(=O)c1ccccc1)C(=O)c1ccccc1)C |
Title of publication |
Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes |
Authors of publication |
Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1999 |
Journal volume |
55 |
Journal issue |
6 |
Pages of publication |
996 - 1000 |
a |
9.0656 ± 0.0015 Å |
b |
8.779 ± 0.003 Å |
c |
29.758 ± 0.005 Å |
α |
90° |
β |
94.672 ± 0.013° |
γ |
90° |
Cell volume |
2360.5 ± 1 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.22 |
Residual factor for significantly intense reflections |
0.077 |
Weighted residual factors for all reflections included in the refinement |
0.184 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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