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Information card for entry 2107992
Preview
| Coordinates | 2107992.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Formula | C13 H19 Cl N2 O2 |
|---|---|
| Calculated formula | C13 H19 Cl N2 O2 |
| Title of publication | The orthorhombic pseudopolymorph of tacrine hydrochloride |
| Authors of publication | Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 771 - 774 |
| a | 17.8252 ± 0.0007 Å |
| b | 7.2708 ± 0.0002 Å |
| c | 20.6396 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2674.96 ± 0.16 Å3 |
| Cell temperature | 100.03 ± 0.1 K |
| Ambient diffraction temperature | 100.03 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2107992.cif |
| 186844 | 2016-09-30 | cif/ hkl/ Adding structures of 2107992 via cif-deposit CGI script. |
2107992.cif |
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Users of the data should acknowledge the original authors of the
structural data.