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Information card for entry 2238192
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| Coordinates | 2238192.cif |
|---|---|
| Structure factors | 2238192.hkl |
| Original IUCr paper | HTML |
| Common name | Vincanine ethanol monosolvate |
|---|---|
| Chemical name | (-)-Norfluorocurarine ethanol monosolvate |
| Formula | C21 H26 N2 O2 |
| Calculated formula | C21 H26 N2 O2 |
| SMILES | C/C=C1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O.CCO |
| Title of publication | ({-})-Norfluorocurarine ethanol monosolvate |
| Authors of publication | Adizov, Shahobiddin M.; Ashurov, Jamshid; Karimov, Zokir; Yuldashev, Pattax Kh.; Tashkhodjaev, Bakhodir |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1100 |
| a | 7.0138 ± 0.0005 Å |
| b | 16.09 ± 0.001 Å |
| c | 16.49 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1860.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81. |
2238192.cif 2238192.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238192.cif 2238192.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238192.cif 2238192.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238192.cif 2238192.hkl |
| 87439 | 2013-08-27 | cif/ Adding structures of 2238192 via cif-deposit CGI script. |
2238192.cif |
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Users of the data should acknowledge the original authors of the
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