Information card for entry 2010774
Chemical name |
(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4- b]quinoline-1,8-dione |
Formula |
C19 H18 Br N O3 |
Calculated formula |
C19 H18 Br N O3 |
SMILES |
Brc1c(C2C3=C(NC4=C2C(=O)C(CC4)(C)C)COC3=O)cccc1 |
Title of publication |
(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione |
Authors of publication |
Şimşek, Rahime; Linden, Anthony; Şafak, Cihat |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
3 |
Pages of publication |
351 - 353 |
a |
11.724 ± 0.005 Å |
b |
10.911 ± 0.004 Å |
c |
14.218 ± 0.006 Å |
α |
90° |
β |
113.11 ± 0.04° |
γ |
90° |
Cell volume |
1672.8 ± 1.3 Å3 |
Cell temperature |
180 ± 1 K |
Ambient diffraction temperature |
180 ± 1 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 |
0.16 |
Residual factor for significantly intense reflections |
0.059 |
Weighted residual factors for all reflections included in the refinement |
0.165 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.967 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2010774.html