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Information card for entry 2019047
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| Coordinates | 2019047.cif |
|---|---|
| Structure factors | 2019047.hkl |
| Original IUCr paper | HTML |
| Common name | Olanzapine acetic acid monosolvate |
|---|---|
| Chemical name | 2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine acetic acid monosolvate |
| Formula | C19 H24 N4 O2 S |
| Calculated formula | C19 H24 N4 O2 S |
| Title of publication | Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates |
| Authors of publication | Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | 781 - 786 |
| a | 10.1474 ± 0.0001 Å |
| b | 12.8562 ± 0.0001 Å |
| c | 14.5494 ± 0.0001 Å |
| α | 90° |
| β | 92.92° |
| γ | 90° |
| Cell volume | 1895.61 ± 0.03 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019047.cif 2019047.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019047.cif 2019047.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. |
2019047.cif 2019047.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2019047.cif 2019047.hkl |
| 87479 | 2013-08-27 | cif/ Adding structures of 2019047, 2019048, 2019049 via cif-deposit CGI script. |
2019047.cif |
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