Information card for entry 2010790
Chemical name |
(8-dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate (1:1:1) |
Formula |
C23 H24 Cl6 N2 O5 |
Calculated formula |
C23 H24 Cl6 N2 O5 |
Title of publication |
(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate |
Authors of publication |
Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
4 |
Pages of publication |
479 - 480 |
a |
8.7122 ± 0.0005 Å |
b |
12.8097 ± 0.0011 Å |
c |
13.7023 ± 0.0012 Å |
α |
113.2 ± 0.007° |
β |
91.68 ± 0.006° |
γ |
101.35 ± 0.006° |
Cell volume |
1368.3 ± 0.2 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 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 all reflections |
0.07 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for all reflections included in the refinement |
0.107 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.998 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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