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Information card for entry 4510822
Preview
| Coordinates | 4510822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H62 Cl2 N2 O10 |
|---|---|
| Calculated formula | C52 H62 Cl2 N2 O10 |
| SMILES | C(=O)(C(c1ccccc1)(c1ccccc1)O)O[C@H]1C[C@H]2[N+]3([C@H](CC2)C1)CCCC3.C(=O)(C(=O)O)O.[Cl-].C(=O)(C(c1ccccc1)(c1ccccc1)O)O[C@H]1C[C@H]2[N+]3([C@H](CC2)C1)CCCC3.[Cl-] |
| Title of publication | Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals |
| Authors of publication | Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2931 |
| a | 43.4462 ± 0.0007 Å |
| b | 6.61949 ± 0.0001 Å |
| c | 16.5083 ± 0.0002 Å |
| α | 90° |
| β | 99.7909 ± 0.0014° |
| γ | 90° |
| Cell volume | 4678.5 ± 0.12 Å3 |
| Cell temperature | 190 K |
| Ambient diffraction temperature | 190 K |
| Ambient diffracton pressure | 101 kPa |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections | 0.1221 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9214 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179655 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08. |
4510822.cif |
| 119070 | 2014-07-05 | cif/ Updating files of 4510821, 4510822, 4510823, 4510824 Original log message: Adding full bibliography for 4510821--4510824.cif. |
4510822.cif |
| 113232 | 2014-05-09 | cif/ Adding structures of 4510821, 4510822, 4510823, 4510824 via cif-deposit CGI script. |
4510822.cif |
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