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Information card for entry 2018031
Preview
| Coordinates | 2018031.cif |
|---|---|
| Structure factors | 2018031.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | methyl 2-formamido-2-deoxy-β-D-glucopyranoside |
|---|---|
| Formula | C8 H15 N O6 |
| Calculated formula | C8 H15 N O6 |
| SMILES | N([C@H]1[C@H](OC)O[C@@H]([C@@H](O)[C@@H]1O)CO)C=O |
| Title of publication | Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside |
| Authors of publication | Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | o146 - o150 |
| a | 4.5374 ± 0.0005 Å |
| b | 15.8837 ± 0.0016 Å |
| c | 6.8993 ± 0.0007 Å |
| α | 90° |
| β | 100.185 ± 0.004° |
| γ | 90° |
| Cell volume | 489.4 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0271 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018031.cif 2018031.hkl |
| 180849 | 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 2/01/80. |
2018031.cif 2018031.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. |
2018031.cif 2018031.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018031.cif 2018031.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. | 2018031.cif 2018031.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018031.cif 2018031.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2018031.cif 2018031.hkl |
| 19093 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2018030, 2018031 via cif-deposit CGI script. |
2018031.cif |
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Users of the data should acknowledge the original authors of the
structural data.