Information card for entry 2226258
Chemical name |
Dimethyl 2-(2,4,6-trimethoxybenzyl)malonate |
Formula |
C15 H20 O7 |
Calculated formula |
C15 H20 O7 |
SMILES |
COC(=O)C(C(=O)OC)Cc1cc(c(c(c1)OC)OC)OC |
Title of publication |
Dimethyl 2-(2,4,6-trimethoxybenzyl)malonate |
Authors of publication |
Liu, Shou-Xin; Lu, Xin; Gao, Shi-Rui; Han, Jian-Rong; Zhen, Xiao-Li |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
6 |
Pages of publication |
o1384 |
a |
11.6173 ± 0.0015 Å |
b |
8.1192 ± 0.001 Å |
c |
17.236 ± 0.002 Å |
α |
90° |
β |
103.968 ± 0.002° |
γ |
90° |
Cell volume |
1577.7 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0538 |
Residual factor for significantly intense reflections |
0.0404 |
Weighted residual factors for significantly intense reflections |
0.1033 |
Weighted residual factors for all reflections included in the refinement |
0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
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/2226258.html