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Information card for entry 2240591
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| Coordinates | 2240591.cif |
|---|---|
| Structure factors | 2240591.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Anagyrine perchlorate |
|---|---|
| Formula | C15 H21 Cl N2 O5 |
| Calculated formula | C15 H21 Cl N2 O5 |
| SMILES | O=c1n2c(ccc1)[C@@H]1C[C@H](C2)[C@@H]2[NH+](CCCC2)C1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Crystal structure of anagyrine perchlorate |
| Authors of publication | Turgunov, Kambarali K.; Rakhimov, Shukhrat B.; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o343 - o344 |
| a | 7.355 ± 0.0003 Å |
| b | 32.982 ± 0.001 Å |
| c | 12.8849 ± 0.0004 Å |
| α | 90° |
| β | 90.709 ± 0.003° |
| γ | 90° |
| Cell volume | 3125.41 ± 0.19 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240591.cif 2240591.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240591.cif 2240591.hkl |
| 136383 | 2015-05-13 | cif/ hkl/ Adding structures of 2240591 via cif-deposit CGI script. |
2240591.cif 2240591.hkl |
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Users of the data should acknowledge the original authors of the
structural data.