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Information card for entry 7235917
Preview
| Coordinates | 7235917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H70 N2 O9 S2 |
|---|---|
| Calculated formula | C60 H70 N2 O9 S2 |
| Title of publication | Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium |
| Authors of publication | Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 52 |
| Pages of publication | 41692 |
| a | 19.8998 ± 0.0009 Å |
| b | 15.4214 ± 0.0006 Å |
| c | 9.2206 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2829.64 ± 0.19 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7235917.cif |
| 233750 | 2019-11-23 | cif/ Adding structures of 7235905, 7235906, 7235907, 7235908, 7235909, 7235910, 7235911, 7235912, 7235913, 7235914, 7235915, 7235916, 7235917, 7235918 via cif-deposit CGI script. |
7235917.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.