Information card for entry 1572608
Formula |
C33 H40 Br N3 |
Calculated formula |
C33 H40 Br N3 |
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 |
10.9276 ± 0.0017 Å |
b |
11.2557 ± 0.0014 Å |
c |
12.9931 ± 0.0019 Å |
α |
72.277 ± 0.005° |
β |
82.974 ± 0.006° |
γ |
76.606 ± 0.005° |
Cell volume |
1478.6 ± 0.4 Å3 |
Cell temperature |
302 ± 2 K |
Ambient diffraction temperature |
302 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1254 |
Residual factor for significantly intense reflections |
0.0824 |
Weighted residual factors for significantly intense reflections |
0.2334 |
Weighted residual factors for all reflections included in the refinement |
0.2699 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1572608.html