Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515352
Preview
Coordinates | 4515352.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H19 I N O S |
---|---|
Calculated formula | C21 H19 I N2 O S |
SMILES | s1c2c([n+](C)c1/C=C/c1cn(CC)c3c1cccc3)cccc2.OC.[I-] |
Title of publication | Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis. |
Authors of publication | Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2018 |
Journal volume | 10 |
Journal issue | 16 |
Pages of publication | 13264 - 13273 |
a | 12.2656 ± 0.0005 Å |
b | 7.3671 ± 0.0003 Å |
c | 23.1538 ± 0.0009 Å |
α | 90° |
β | 103.053 ± 0.004° |
γ | 90° |
Cell volume | 2038.16 ± 0.15 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
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 | 0.0674 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1538 |
Weighted residual factors for all reflections included in the refinement | 0.1644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 1.54178 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/4515352.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.