Information card for entry 7244524
| Formula |
C16 H19.67 N3 O4.33 S |
| Calculated formula |
C16 H19.6667 N3 O4.33333 S |
| Title of publication |
Understanding the role of solvent in regulating the crystal habit |
| Authors of publication |
Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| Journal volume |
24 |
| Journal issue |
12 |
| Pages of publication |
2226 - 2240 |
| a |
16.8521 ± 0.0004 Å |
| b |
11.9552 ± 0.0002 Å |
| c |
26.6656 ± 0.0006 Å |
| α |
90° |
| β |
108.107 ± 0.003° |
| γ |
90° |
| Cell volume |
5106.3 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
5 |
| Hermann-Mauguin space group symbol |
I 1 2 1 |
| Hall space group symbol |
I 2y |
| Residual factor for all reflections |
0.0555 |
| Residual factor for significantly intense reflections |
0.053 |
| Weighted residual factors for significantly intense reflections |
0.1478 |
| Weighted residual factors for all reflections included in the refinement |
0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| 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/7244524.html
