Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568084
Preview
Coordinates | 1568084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H62 N4 O7 S2 |
---|---|
Calculated formula | C68 H62 N4 O7 S2 |
Title of publication | Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns. |
Authors of publication | Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 2 |
Pages of publication | 323 - 330 |
a | 9.0104 ± 0.0004 Å |
b | 13.7067 ± 0.0005 Å |
c | 24.3591 ± 0.0009 Å |
α | 84.789 ± 0.003° |
β | 81.573 ± 0.003° |
γ | 89.49 ± 0.003° |
Cell volume | 2963.6 ± 0.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0751 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.1246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568084.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.