Information card for entry 1557428
| Formula |
C33 H27 N2 O2 P |
| Calculated formula |
C33 H27 N2 O2 P |
| SMILES |
C1(=C(c2c(cccc2)P1(=O)OCC)c1ccncc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1 |
| Title of publication |
Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress |
| Authors of publication |
Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| Journal volume |
11 |
| Journal issue |
13 |
| Pages of publication |
3405 - 3417 |
| a |
10.6898 ± 0.0007 Å |
| b |
11.775 ± 0.0008 Å |
| c |
11.9913 ± 0.0007 Å |
| α |
71.708 ± 0.002° |
| β |
65.4407 ± 0.0019° |
| γ |
89.239 ± 0.002° |
| Cell volume |
1291.4 ± 0.15 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0899 |
| Residual factor for significantly intense reflections |
0.0597 |
| Weighted residual factors for significantly intense reflections |
0.1164 |
| Weighted residual factors for all reflections included in the refinement |
0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1557428.html
