Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514460
Preview
| Coordinates | 4514460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O |
|---|---|
| Calculated formula | C17 H13 N O |
| SMILES | N(=C\c1c2c(ccc1O)cccc2)/c1ccccc1 |
| Title of publication | Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information. |
| Authors of publication | Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 37 |
| Pages of publication | 34526 - 34531 |
| a | 14.139 ± 0.002 Å |
| b | 5.4582 ± 0.0009 Å |
| c | 17.551 ± 0.003 Å |
| α | 90° |
| β | 113.091 ± 0.002° |
| γ | 90° |
| Cell volume | 1246 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219649 (current) | 2019-10-28 | cif/ Adding structures of 4514460 via cif-deposit CGI script. |
4514460.cif |
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.