Information card for entry 2202607
Chemical name |
8,8'-dichloro-1,1',5,5'-tetrahydro-10,10'-bipyrrolo[1,2-b] isoquinolin-3,3'(2H,2'H)-dione |
Formula |
C24 H18 Cl2 N2 O2 |
Calculated formula |
C24 H18 Cl2 N2 O2 |
SMILES |
Clc1cc2C(=C3N(Cc2cc1)C(=O)CC3)C1=C2N(Cc3c1cc(Cl)cc3)C(=O)CC2 |
Title of publication |
8,8'-Dichloro-1,1',5,5'-tetrahydro-10,10'-bipyrrolo[1,2-<i>b</i>]isoquinoline-3,3'(2<i>H</i>,2'<i>H</i>)-dione |
Authors of publication |
Camus, Fabrice; Norberg, Bernadette; Bourry, Anne; Akué-Gédu, Rufine; Rigo, Benoît; Durant, François |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2003 |
Journal volume |
59 |
Journal issue |
7 |
Pages of publication |
o1002 - o1003 |
a |
8.113 ± 0.001 Å |
b |
12.089 ± 0.001 Å |
c |
20.181 ± 0.002 Å |
α |
90° |
β |
92.79 ± 0.03° |
γ |
90° |
Cell volume |
1977 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0611 |
Residual factor for significantly intense reflections |
0.0452 |
Weighted residual factors for significantly intense reflections |
0.125 |
Weighted residual factors for all reflections included in the refinement |
0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2202607.html