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Information card for entry 7226897
Preview
| Coordinates | 7226897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H44 N O8.5 S |
|---|---|
| Calculated formula | C32 H44 N O8.5 S |
| Title of publication | A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. |
| Authors of publication | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 43 |
| Pages of publication | 29999 - 30008 |
| a | 43.206 ± 0.009 Å |
| b | 7.075 ± 0.0016 Å |
| c | 22.126 ± 0.005 Å |
| α | 90° |
| β | 111.687 ± 0.012° |
| γ | 90° |
| Cell volume | 6285 ± 2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2102 |
| Residual factor for significantly intense reflections | 0.091 |
| Weighted residual factors for significantly intense reflections | 0.2005 |
| Weighted residual factors for all reflections included in the refinement | 0.2611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226897.cif |
| 188314 | 2016-11-08 | cif/ Updating files of 7226893, 7226894, 7226895, 7226896, 7226897, 7226898 Original log message: Adding full bibliography for 7226893--7226898.cif. |
7226897.cif |
| 187547 | 2016-10-25 | cif/ Adding structures of 7226893, 7226894, 7226895, 7226896, 7226897, 7226898 via cif-deposit CGI script. |
7226897.cif |
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Users of the data should acknowledge the original authors of the
structural data.