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Information card for entry 2209928
Preview
Coordinates | 2209928.cif |
---|---|
Structure factors | 2209928.hkl |
Original IUCr paper | HTML |
Common name | 2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside |
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Chemical name | 2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside |
Formula | C24 H32 O10 |
Calculated formula | C24 H32 O10 |
SMILES | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)C(C)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C |
Title of publication | 2,3,4,6-Tetra-<i>O</i>-acetyl-<i>O</i>-(<i>p</i>-<i>tert</i>-butylphenyl)-β-<small>D</small>-glucopyranoside |
Authors of publication | Ansari, Farzana Latif; Sultana, Sajida; Corrente, Andrea M.; Parvez, Masood |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 8 |
Pages of publication | o3139 - o3141 |
a | 8.093 ± 0.002 Å |
b | 10.932 ± 0.004 Å |
c | 29.318 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2593.8 ± 1.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
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 | 0.086 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.109 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2209928.html
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