Information card for entry 1572609
Formula |
C33 H35 Cl2 N5 O |
Calculated formula |
C33 H35 Cl2 N5 O |
Title of publication |
De Novo Design of Type-l Photosensitizers Agents Based on Structure-Inherent Low Triplet Energy for Hypoxia Photodynamic Therapy |
Authors of publication |
Ran, Xiaoyun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun |
Journal of publication |
Materials Horizons |
Year of publication |
2024 |
a |
14.174 ± 0.003 Å |
b |
11.712 ± 0.002 Å |
c |
19.739 ± 0.003 Å |
α |
90° |
β |
109.259 ± 0.006° |
γ |
90° |
Cell volume |
3093.4 ± 1 Å3 |
Cell temperature |
195 ± 2 K |
Ambient diffraction temperature |
195 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0971 |
Residual factor for significantly intense reflections |
0.0631 |
Weighted residual factors for significantly intense reflections |
0.1547 |
Weighted residual factors for all reflections included in the refinement |
0.18 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/1572609.html