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Information card for entry 7233880
Preview
| Coordinates | 7233880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H31 N O4 S2 |
|---|---|
| Calculated formula | C37 H31 N O4 S2 |
| Title of publication | Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications |
| Authors of publication | Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8373 - 8380 |
| a | 9.848 ± 0.002 Å |
| b | 12.546 ± 0.003 Å |
| c | 12.957 ± 0.003 Å |
| α | 85.32 ± 0.03° |
| β | 80.81 ± 0.03° |
| γ | 69.9 ± 0.03° |
| Cell volume | 1483.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7233880.cif |
| 218337 | 2019-09-17 | cif/ Adding structures of 7233880 via cif-deposit CGI script. |
7233880.cif |
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Users of the data should acknowledge the original authors of the
structural data.