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Information card for entry 7235165
Preview
| Coordinates | 7235165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H20 O2 S2 |
|---|---|
| Calculated formula | C30 H20 O2 S2 |
| SMILES | C1(=C(c2c(c(c(c3ccccc3)s2)c2ccccc2)S1(=O)=O)c1ccccc1)c1ccccc1 |
| Title of publication | Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide |
| Authors of publication | Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 960 - 968 |
| a | 9.75 ± 0.002 Å |
| b | 10.415 ± 0.002 Å |
| c | 12.252 ± 0.003 Å |
| α | 104.173 ± 0.007° |
| β | 102.316 ± 0.007° |
| γ | 98.648 ± 0.007° |
| Cell volume | 1151.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.111 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7235165.cif |
| 230988 | 2019-11-18 | cif/ Adding structures of 7235159, 7235160, 7235161, 7235162, 7235163, 7235164, 7235165, 7235166 via cif-deposit CGI script. |
7235165.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.