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Information card for entry 7240804
Preview
| Coordinates | 7240804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H30 N4.5 O10.5 Zn1.5 |
|---|---|
| Calculated formula | C32 H30 N4.5 O10.5 Zn1.5 |
| Title of publication | Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives |
| Authors of publication | Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 42.333 ± 0.009 Å |
| b | 9.3912 ± 0.0019 Å |
| c | 18.577 ± 0.004 Å |
| α | 90° |
| β | 113.69 ± 0.03° |
| γ | 90° |
| Cell volume | 6763 ± 3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253589 (current) | 2020-07-01 | cif/ Adding structures of 7240803, 7240804 via cif-deposit CGI script. |
7240804.cif |
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