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Information card for entry 1557429
Preview
| Coordinates | 1557429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H27 N2 O2 P |
|---|---|
| Calculated formula | C33 H27 N2 O2 P |
| 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 | 9.1957 ± 0.0006 Å |
| b | 10.841 ± 0.0007 Å |
| c | 13.3381 ± 0.0008 Å |
| α | 100.85 ± 0.002° |
| β | 100.343 ± 0.002° |
| γ | 93.057 ± 0.002° |
| Cell volume | 1279.46 ± 0.14 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 | 0.1091 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557429.cif |
| 257350 | 2020-10-06 | cif/ Updating files of 1557428, 1557429 Original log message: Adding full bibliography for 1557428--1557429.cif. |
1557429.cif |
| 250239 | 2020-04-05 | cif/ Updating files of 1557428, 1557429 Original log message: Adding full bibliography for 1557428--1557429.cif. |
1557429.cif |
| 248632 | 2020-03-03 | cif/ Adding structures of 1557428, 1557429 via cif-deposit CGI script. |
1557429.cif |
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Users of the data should acknowledge the original authors of the
structural data.