Information card for entry 2022861
Common name |
2,6-Dibromo-3,4,5-trimethoxybenzoic acid |
Chemical name |
2,6-Dibromo-3,4,5-trimethoxybenzoic acid |
Formula |
C10 H10 Br2 O5 |
Calculated formula |
C10 H10 Br2 O5 |
Title of publication |
2,6-Dibromo-3,4,5-trimethoxybenzoic acid |
Authors of publication |
Meurer, Florian; Dimova, Tanya; Bodensteiner, Michael; Kolev, Iliyan |
Journal of publication |
Acta Crystallographica Section E Crystallographic Communications |
Year of publication |
2023 |
Journal volume |
79 |
Journal issue |
10 |
a |
11.4047 ± 0.0009 Å |
b |
7.1107 ± 0.0003 Å |
c |
16.8997 ± 0.0013 Å |
α |
90° |
β |
107.009 ± 0.008° |
γ |
90° |
Cell volume |
1310.54 ± 0.16 Å3 |
Cell temperature |
100 ± 0.12 K |
Ambient diffraction temperature |
100 ± 0.12 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0875 |
Residual factor for significantly intense reflections |
0.0528 |
Weighted residual factors for significantly intense reflections |
0.1066 |
Weighted residual factors for all reflections included in the refinement |
0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.0578 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71073 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/2022861.html