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Information card for entry 7234182
Preview
| Coordinates | 7234182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H92 N2 O4 |
|---|---|
| Calculated formula | C68 H92 N2 O4 |
| SMILES | CCCCCCCCCCCCCCCCn1c2ccccc2c2cc(ccc12)c1cc(c(cc1C(=O)OCC)c1cc2c(cc1)n(c1c2cccc1)CCCCCCCCCCCCCCCC)C(=O)OCC |
| Title of publication | Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains |
| Authors of publication | Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 4086 - 4092 |
| a | 8.2621 ± 0.0017 Å |
| b | 8.9309 ± 0.0018 Å |
| c | 21.084 ± 0.004 Å |
| α | 81.69 ± 0.03° |
| β | 85.17 ± 0.03° |
| γ | 82.15 ± 0.03° |
| Cell volume | 1521.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1278 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234182.cif |
| 218869 | 2019-09-26 | cif/ Adding structures of 7234182, 7234183, 7234184 via cif-deposit CGI script. |
7234182.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.