Information card for entry 7244641
| Formula |
C32 H34 N2 O4 |
| Calculated formula |
C32 H34 N2 O4 |
| Title of publication |
Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid |
| Authors of publication |
Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
26.6725 ± 0.0002 Å |
| b |
19.708 ± 0.0001 Å |
| c |
10.3729 ± 0.0001 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
5452.64 ± 0.07 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
41 |
| Hermann-Mauguin space group symbol |
A e a 2 |
| Hall space group symbol |
A 2 -2ab |
| Residual factor for all reflections |
0.0333 |
| Residual factor for significantly intense reflections |
0.0328 |
| Weighted residual factors for significantly intense reflections |
0.1063 |
| Weighted residual factors for all reflections included in the refinement |
0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.998 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7244641.html
