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Information card for entry 2229383
Preview
Coordinates | 2229383.cif |
---|---|
Structure factors | 2229383.hkl |
Original IUCr paper | HTML |
Chemical name | 2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranoside |
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Formula | C28 H38 O11 |
Calculated formula | C28 H38 O11 |
SMILES | CC(=O)OC[C@H]1O[C@H](Oc2c(C)c(C)c3c(c2C)CCC(O3)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C |
Title of publication | 2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside from synchrotron data |
Authors of publication | Brzezinski, Krzysztof; Wałejko, Piotr; Baj, Aneta; Witkowski, Stanisław; Dauter, Zbigniew |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | o718 |
a | 8.66 ± 0.01 Å |
b | 11.3 ± 0.01 Å |
c | 14.55 ± 0.01 Å |
α | 85.74 ± 0.05° |
β | 89.13 ± 0.05° |
γ | 88.16 ± 0.05° |
Cell volume | 1419 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0505 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.5904 Å |
Diffraction radiation type | synchrotron |
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/2229383.html
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Users of the data should acknowledge the original authors of the
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