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Information card for entry 2225926
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| Coordinates | 2225926.cif |
|---|---|
| Structure factors | 2225926.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-D-talono-1,5-\ lactone |
|---|---|
| Formula | C10 H15 N3 O5 |
| Calculated formula | C10 H15 N3 O5 |
| SMILES | O1C(O[C@@H]2[C@H]1[C@](N=N#N)(C(=O)O[C@@H]2CO)C)(C)C |
| Title of publication | 2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>D</small>-talono-1,5-lactone |
| Authors of publication | Jenkinson, Sarah F.; Dai, Ni; Fleet, George W. J.; Watkin, David J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o1221 - o1222 |
| a | 5.9481 ± 0.0003 Å |
| b | 13.3427 ± 0.0007 Å |
| c | 15.6351 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1240.86 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for all reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8754 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181180 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/59. |
2225926.cif 2225926.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225926.cif 2225926.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225926.cif 2225926.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225926.cif 2225926.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225926.cif 2225926.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225926.cif 2225926.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225926.cif 2225926.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225926.cif |
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Users of the data should acknowledge the original authors of the
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