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Information card for entry 7226893
Preview
| Coordinates | 7226893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H55 N O11 S |
|---|---|
| Calculated formula | C40 H55 N O11 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 | 8.296 ± 0.003 Å |
| b | 10.559 ± 0.004 Å |
| c | 22.575 ± 0.008 Å |
| α | 87.07 ± 0.018° |
| β | 89.387 ± 0.016° |
| γ | 82.151 ± 0.019° |
| Cell volume | 1956.4 ± 1.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.2252 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2031 |
| Weighted residual factors for all reflections included in the refinement | 0.272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188314 (current) | 2016-11-08 | cif/ Updating files of 7226893, 7226894, 7226895, 7226896, 7226897, 7226898 Original log message: Adding full bibliography for 7226893--7226898.cif. |
7226893.cif |
| 187547 | 2016-10-25 | cif/ Adding structures of 7226893, 7226894, 7226895, 7226896, 7226897, 7226898 via cif-deposit CGI script. |
7226893.cif |
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Users of the data should acknowledge the original authors of the
structural data.