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Information card for entry 7122740
Preview
| Coordinates | 7122740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5-PDA |
|---|---|
| Formula | C48 H52 N2 O4 |
| Calculated formula | C48 H52 N2 O4 |
| Title of publication | Stimuli-responsive and chemically tunable organic microcrystal laser switch |
| Authors of publication | Fu, Hongbing; Cai, Xin; Xu, Zhenzhen; Zheng, Xiaolin; Ran, Chenhui; Liu, Peng; He, Xianxiong; Jin, Xue; Liao, Qing |
| Journal of publication | Chemical Communications |
| Year of publication | 2018 |
| a | 5.9659 ± 0.001 Å |
| b | 8.1499 ± 0.0009 Å |
| c | 20.8277 ± 0.0019 Å |
| α | 81.489 ± 0.009° |
| β | 88.641 ± 0.012° |
| γ | 79.847 ± 0.012° |
| Cell volume | 985.8 ± 0.2 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1378 |
| Residual factor for significantly intense reflections | 0.0923 |
| Weighted residual factors for significantly intense reflections | 0.2725 |
| Weighted residual factors for all reflections included in the refinement | 0.305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122740.cif |
| 212597 | 2018-12-15 | cif/ Adding structures of 7122740 via cif-deposit CGI script. |
7122740.cif |
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Users of the data should acknowledge the original authors of the
structural data.