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Information card for entry 1546406
Preview
| Coordinates | 1546406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H38 |
|---|---|
| Calculated formula | C45 H38 |
| SMILES | c1c2c(ccc1)c1ccc(cc1C2(C)C)c1ccc2c3ccc(c4ccc5c6ccccc6C(c5c4)(C)C)cc3C(c2c1)(C)C |
| Title of publication | Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors |
| Authors of publication | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2017 |
| Journal volume | 121 |
| Journal issue | 27 |
| Pages of publication | 14803 |
| a | 8.6787 ± 0.0008 Å |
| b | 23.1736 ± 0.0019 Å |
| c | 16.1895 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3256 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298.41 K |
| Number of distinct elements | 2 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546406.cif |
| 200717 | 2017-09-12 | cif/ Updating files of 1546404, 1546405, 1546406 Original log message: Adding full bibliography for 1546404--1546406.cif. |
1546406.cif |
| 198176 | 2017-06-28 | cif/ Adding structures of 1546406 via cif-deposit CGI script. |
1546406.cif |
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Users of the data should acknowledge the original authors of the
structural data.