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CIF Information Card
Information card for 7205755
7205754 << 7205755 >> 7205756Preview
|
Coordinates |
7205755.cif |
Structure parameters
| Formula | - C21 H25 N3 O5 - |
| Calculated formula | - C21 H23 N3 O5 - |
| Title of publication | Crystal structures of mirtazapine molecular salts |
| Authors of publication | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3232 |
| a | 25.244 ± 0.004 Å |
| b | 18.525 ± 0.003 Å |
| c | 8.9052 ± 0.0013 Å |
| α | 90° |
| β | 102.753 ± 0.003° |
| γ | 90° |
| Cell volume | 4061.7 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0932 |
| Residual factor for observed reflections | 0.0791 |
| Weighted residual factors for the observed reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for observed reflections | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |