Information card for entry 2014176
Chemical name |
1-chloro-3,6-dimethoxy-2,5-dimethylbenzene |
Formula |
C10 H13 Cl O2 |
Calculated formula |
C10 H13 Cl O2 |
SMILES |
Clc1c(c(OC)cc(c1OC)C)C |
Title of publication |
1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene |
Authors of publication |
Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
7 |
Pages of publication |
o536 - o538 |
a |
14.49 ± 0.003 Å |
b |
4.147 ± 0.0008 Å |
c |
16.848 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1012.4 ± 0.3 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
4 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0979 |
Residual factor for significantly intense reflections |
0.0633 |
Weighted residual factors for significantly intense reflections |
0.1417 |
Weighted residual factors for all reflections included in the refinement |
0.1627 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2014176.html