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Information card for entry 1552479
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| Coordinates | 1552479.cif |
|---|---|
| Structure factors | 1552479.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihydroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride |
|---|---|
| Formula | C23 H27 Cl N2 O2 |
| Calculated formula | C23 H27 Cl N2 O2 |
| Title of publication | 1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride |
| Authors of publication | Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | x191390 |
| a | 13.595 ± 0.003 Å |
| b | 14.337 ± 0.003 Å |
| c | 10.958 ± 0.002 Å |
| α | 90° |
| β | 92.23 ± 0.03° |
| γ | 90° |
| Cell volume | 2134.2 ± 0.8 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0785 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219514 (current) | 2019-10-25 | cif/ hkl/ Adding structures of 1552479 via cif-deposit CGI script. |
1552479.cif 1552479.hkl |
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Users of the data should acknowledge the original authors of the
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