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Information card for entry 2239270
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| Coordinates | 2239270.cif |
|---|---|
| Structure factors | 2239270.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Methyl 6-<i>O</i>-trityl-α-D-glucopyranoside methanol disolvate |
|---|---|
| Formula | C28 H36 O8 |
| Calculated formula | C28 H36 O8 |
| SMILES | CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O.CO.CO |
| Title of publication | Methyl 6-<i>O</i>-trityl-α-<small>D</small>-glucopyranoside methanol disolvate |
| Authors of publication | Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o492 - o493 |
| a | 8.6763 ± 0.0004 Å |
| b | 9.1233 ± 0.0004 Å |
| c | 19.1545 ± 0.0006 Å |
| α | 86.328 ± 0.003° |
| β | 82.578 ± 0.002° |
| γ | 67.903 ± 0.002° |
| Cell volume | 1392.87 ± 0.1 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239270.cif 2239270.hkl |
| 181892 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239270.cif 2239270.hkl |
| 181311 | 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 2/23/92. |
2239270.cif 2239270.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. |
2239270.cif 2239270.hkl |
| 108842 | 2014-04-03 | cif/ hkl/ Adding structures of 2239270 via cif-deposit CGI script. |
2239270.cif 2239270.hkl |
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Users of the data should acknowledge the original authors of the
structural data.