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Information card for entry 2238270
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| Coordinates | 2238270.cif |
|---|---|
| Structure factors | 2238270.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
|---|---|
| Formula | C19 H34 N O8.5 S |
| Calculated formula | C19 H31 N O7 S |
| Title of publication | <i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-<small>D</small>-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| Authors of publication | Dmochowska, Barbara; Sikora, Karol; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Wiśniewski, Andrzej |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1019 - o1020 |
| a | 11.4896 ± 0.0015 Å |
| b | 7.9311 ± 0.0011 Å |
| c | 13.4853 ± 0.0017 Å |
| α | 90° |
| β | 111.619 ± 0.012° |
| γ | 90° |
| Cell volume | 1142.4 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238270.cif 2238270.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. |
2238270.cif 2238270.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. |
2238270.cif 2238270.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238270.cif 2238270.hkl |
| 87531 | 2013-08-27 | cif/ Adding structures of 2238270 via cif-deposit CGI script. |
2238270.cif |
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Users of the data should acknowledge the original authors of the
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