Information card for entry 8105634
| Formula |
C15 H6 Cl6 O4 |
| Calculated formula |
C15 H6 Cl6 O4 |
| SMILES |
c1(c(cc(cc1Cl)Cl)Cl)OC(=O)CC(=O)Oc1c(cc(cc1Cl)Cl)Cl |
| Title of publication |
Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4 |
| Authors of publication |
Yun-Lian, Shi; Tao, Huang; Xu-Liang, Nie; Da-Yong, Peng; Jin-Chuan, Liu; Bao-Tong, Li |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2019 |
| Journal volume |
234 |
| Journal issue |
2 |
| Pages of publication |
331 - 332 |
| a |
12.098 ± 0.0011 Å |
| b |
10.0628 ± 0.0009 Å |
| c |
15.1518 ± 0.0014 Å |
| α |
90° |
| β |
104.231 ± 0.001° |
| γ |
90° |
| Cell volume |
1788 ± 0.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0221 |
| Residual factor for significantly intense reflections |
0.0214 |
| Weighted residual factors for significantly intense reflections |
0.0562 |
| Weighted residual factors for all reflections included in the refinement |
0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/8105634.html
