Information card for entry 8107269
| Formula |
C48 H40 Cl4 O4 |
| Calculated formula |
C48 H40 Cl4 O4 |
| Title of publication |
The crystal structure of 1,5-bis(4-chlorophenyl)-3-(3-methylphenyl)pentane- 1,5-dione, C48H40Cl4O4 |
| Authors of publication |
Li, Zhen; Liu, Wanxing; Wang, Baolei; Yang, Yanbing; Liu, Dong; Dai, Yifan |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2022 |
| Journal volume |
237 |
| Journal issue |
6 |
| Pages of publication |
977 - 979 |
| a |
7.1407 ± 0.0005 Å |
| b |
12.5905 ± 0.0008 Å |
| c |
24.6662 ± 0.0017 Å |
| α |
103.442 ± 0.006° |
| β |
93.551 ± 0.005° |
| γ |
101.219 ± 0.005° |
| Cell volume |
2102.3 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1129 |
| Residual factor for significantly intense reflections |
0.0595 |
| Weighted residual factors for significantly intense reflections |
0.1303 |
| Weighted residual factors for all reflections included in the refinement |
0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/8107269.html
