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CIF Information Card
Information card for 7205759
7205758 << 7205759 >> 7205760Preview
|
Coordinates |
7205759.cif |
Structure parameters
| Formula | - C20 H23 N3 O4 - |
| Calculated formula | - C20 H23 N3 O4 - |
| 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 | 10.3222 ± 0.0016 Å |
| b | 10.7865 ± 0.0017 Å |
| c | 10.8589 ± 0.0017 Å |
| α | 111.053 ± 0.002° |
| β | 115.931 ± 0.002° |
| γ | 99.711 ± 0.002° |
| Cell volume | 935.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for observed reflections | 0.0565 |
| Weighted residual factors for the observed reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for observed reflections | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |