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Information card for entry 7242789
Preview
| Coordinates | 7242789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H30 N6 O8 |
|---|---|
| Calculated formula | C40 H30 N6 O8 |
| Title of publication | A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties |
| Authors of publication | Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4320 - 4326 |
| a | 6.428 ± 0.005 Å |
| b | 10.302 ± 0.008 Å |
| c | 25.248 ± 0.019 Å |
| α | 90° |
| β | 89.053 ± 0.015° |
| γ | 90° |
| Cell volume | 1672 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1253 |
| Residual factor for significantly intense reflections | 0.0836 |
| Weighted residual factors for significantly intense reflections | 0.2318 |
| Weighted residual factors for all reflections included in the refinement | 0.2924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242789.cif |
| 267107 | 2021-07-05 | cif/ Updating files of 7242788, 7242789 Original log message: Adding full bibliography for 7242788--7242789.cif. |
7242789.cif |
| 265050 | 2021-05-08 | cif/ Adding structures of 7242788, 7242789 via cif-deposit CGI script. |
7242789.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.