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Information card for entry 7225918
Preview
| Coordinates | 7225918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H17 Cl N2 |
|---|---|
| Calculated formula | C27 H17 Cl N2 |
| SMILES | Clc1ccc(C(=C\c2cc3c4c(n(c3cc2)c2ccccc2)cccc4)\C#N)cc1 |
| Title of publication | Remarkable substitution influence on the mechanochromism of cyanostilbene derivatives |
| Authors of publication | Zhao, He; Wang, Yongtao; Harrington, Steven; Ma, Lei; Hu, Shuzhi; Wu, Xue; Tang, Huan; Xue, Mei; Wang, Yubin |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 71 |
| Pages of publication | 66477 |
| a | 16.672 ± 0.012 Å |
| b | 13.929 ± 0.01 Å |
| c | 8.865 ± 0.006 Å |
| α | 90° |
| β | 102.965 ± 0.008° |
| γ | 90° |
| Cell volume | 2006 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225918.cif |
| 184441 | 2016-07-13 | cif/ Adding structures of 7225917, 7225918, 7225919, 7225920, 7225921 via cif-deposit CGI script. |
7225918.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.