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Information card for entry 7233693
Preview
| Coordinates | 7233693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 N2 O S |
|---|---|
| Calculated formula | C23 H18 N2 O S |
| SMILES | S1c2ccccc2N(CC)c2ccc(cc12)/C=C/c1oc2ccccc2n1 |
| Title of publication | Phenothiazine-based benzoxazole derivates exhibiting mechanochromic luminescence: the effect of a bromine atom |
| Authors of publication | Pengchong Xue; Boqi Yao; Jiabao Sun; Qiuxia Xu; Peng Chen; Zhenqi Zhang; Ran Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 3942 - 3950 |
| a | 13.69 ± 0.003 Å |
| b | 21.558 ± 0.004 Å |
| c | 6.2444 ± 0.0012 Å |
| α | 90° |
| β | 95.33 ± 0.03° |
| γ | 90° |
| Cell volume | 1834.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 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 | 0.0761 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218044 (current) | 2019-09-06 | cif/ Adding structures of 7233693 via cif-deposit CGI script. |
7233693.cif |
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Users of the data should acknowledge the original authors of the
structural data.