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Information card for entry 4518490
Preview
| Coordinates | 4518490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 N4 O4 |
|---|---|
| Calculated formula | C22 H22 N4 O4 |
| Title of publication | Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone. |
| Authors of publication | Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 7546 - 7555 |
| a | 12.51 ± 0.003 Å |
| b | 4.64 ± 0.0009 Å |
| c | 33.91 ± 0.007 Å |
| α | 90° |
| β | 96.5 ± 0.03° |
| γ | 90° |
| Cell volume | 1955.7 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2178 |
| Residual factor for significantly intense reflections | 0.2128 |
| Weighted residual factors for significantly intense reflections | 0.5027 |
| Weighted residual factors for all reflections included in the refinement | 0.5051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.02508 Å |
| Diffraction radiation type | 200keVelectrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4518490.cif |
| 262438 | 2021-03-04 | cif/ Updating files of 4518489, 4518490 Original log message: Adding full bibliography for 4518489--4518490.cif. |
4518490.cif |
| 261828 | 2021-02-07 | cif/ Adding structures of 4518490 via cif-deposit CGI script. |
4518490.cif |
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Users of the data should acknowledge the original authors of the
structural data.