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Information card for entry 7232936
Preview
| Coordinates | 7232936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | EPTD |
|---|---|
| Formula | C48 H48 N2 O4 S2 |
| Calculated formula | C48 H48 N2 O4 S2 |
| Title of publication | Fluorescence response of cruciform D–π–A–π–D phenothiazine derivatives to mechanical force |
| Authors of publication | Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 28 |
| Pages of publication | 4192 |
| a | 8.7972 ± 0.0004 Å |
| b | 9.6008 ± 0.0005 Å |
| c | 24.5152 ± 0.0017 Å |
| α | 90° |
| β | 99.503 ± 0.005° |
| γ | 90° |
| Cell volume | 2042.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7232936.cif |
| 223474 | 2019-11-07 | cif/ Updating files of 7232936, 7232937, 7232938 Original log message: Adding full bibliography for 7232936--7232938.cif. |
7232936.cif |
| 216542 | 2019-06-26 | cif/ Adding structures of 7232936, 7232937, 7232938 via cif-deposit CGI script. |
7232936.cif |
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Users of the data should acknowledge the original authors of the
structural data.