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Information card for entry 2228493
Preview
| Coordinates | 2228493.cif |
|---|---|
| Structure factors | 2228493.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside |
|---|---|
| Chemical name | Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside |
| Formula | C30 H31 N O6 S |
| Calculated formula | C30 H31 N O6 S |
| SMILES | S(CC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc1ccccc1)O)OCc1ccccc1)N1C(=O)c2ccccc2C1=O |
| Title of publication | Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside |
| Authors of publication | Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3250 - o3251 |
| a | 8.5313 ± 0.0001 Å |
| b | 14.7728 ± 0.0002 Å |
| c | 21.194 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2671.11 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228493.cif 2228493.hkl |
| 181205 | 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 2/22/84. |
2228493.cif 2228493.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. |
2228493.cif 2228493.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228493.cif 2228493.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. | 2228493.cif 2228493.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228493.cif 2228493.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228493.cif 2228493.hkl |
| 5793 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228492, 2228493, 2228494, 2228495, 2228496, 2228497, 2228498, 2228499, 2228500, 2228501 via cif-deposit CGI script. |
2228493.cif |
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