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Information card for entry 4514462
Preview
| Coordinates | 4514462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O |
|---|---|
| Calculated formula | C17 H13 N O |
| SMILES | Oc1c(/C=N/c2ccccc2)c2c(cccc2)cc1 |
| 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 | 4.7869 ± 0.0003 Å |
| b | 10.7951 ± 0.0008 Å |
| c | 12.763 ± 0.0009 Å |
| α | 109.571 ± 0.003° |
| β | 91.067 ± 0.003° |
| γ | 91.47 ± 0.003° |
| Cell volume | 620.96 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1661 |
| Weighted residual factors for all reflections included in the refinement | 0.1803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219651 (current) | 2019-10-28 | cif/ Adding structures of 4514462 via cif-deposit CGI script. |
4514462.cif |
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