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Information card for entry 7218070
Preview
| Coordinates | 7218070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H60 |
|---|---|
| Calculated formula | C56 H60 |
| SMILES | CCCCC1(c2cc(C(=C(/c3cc4C(CCCC)(CCCC)c5c(cccc5)c4cc3)c3ccccc3)/c3ccccc3)ccc2c2c1cccc2)CCCC |
| Title of publication | The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials |
| Authors of publication | Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 526 |
| a | 11.1014 ± 0.0009 Å |
| b | 11.6074 ± 0.0009 Å |
| c | 17.9752 ± 0.0014 Å |
| α | 101.916 ± 0.001° |
| β | 105.051 ± 0.001° |
| γ | 92.108 ± 0.001° |
| Cell volume | 2178.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218070.cif |
| 180511 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80. |
7218070.cif |
| 133192 | 2015-03-06 | cif/ Updating files of 7218069, 7218070, 7218071 Original log message: Adding full bibliography for 7218069--7218071.cif. |
7218070.cif |
| 123657 | 2014-09-10 | cif/ Adding structures of 7218069, 7218070, 7218071 via cif-deposit CGI script. |
7218070.cif |
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Users of the data should acknowledge the original authors of the
structural data.