Information card for entry 2207847
Chemical name |
3,10-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione |
Formula |
C20 H10 Cl2 N2 O2 |
Calculated formula |
C20 H10 Cl2 N2 O2 |
SMILES |
c1c(cc2Nc3c(C(=O)c2c1)cc1c(C(=O)c2ccc(cc2N1)Cl)c3)Cl |
Title of publication |
3,10-Dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dione |
Authors of publication |
Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
1 |
Pages of publication |
o261 - o263 |
a |
3.7635 ± 0.0013 Å |
b |
5.853 ± 0.002 Å |
c |
16.746 ± 0.006 Å |
α |
85.2 ± 0.02° |
β |
83.79 ± 0.02° |
γ |
89.32 ± 0.02° |
Cell volume |
365.4 ± 0.2 Å3 |
Cell temperature |
93.1 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for significantly intense reflections |
0.0568 |
Weighted residual factors for all reflections included in the refinement |
0.1724 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.129 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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