Information card for entry 2011330
Common name |
1,6-Anhydro-2,3-di-O-Benzyl-5C-(Carbethoxy-1(R)-hydroxymethyl)-L-altrofuranose |
Chemical name |
1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-L- altrofuranose |
Formula |
C24 H28 O8 |
Calculated formula |
C24 H28 O8 |
SMILES |
O1[C@@H]2[C@@H]([C@H]([C@@H](O2)[C@](C1)(O)[C@@H](O)C(=O)OCC)OCc1ccccc1)OCc1ccccc1 |
Title of publication |
1,6-Anhydro-2,3-di-<i>O</i>-benzyl-5<i>C</i>-[(<i>R</i>)-ethoxycarbonyl(hydroxy)methyl]-β-<small>L</small>-altrofuranose |
Authors of publication |
Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
9 |
Pages of publication |
1168 - 1169 |
a |
5.674 ± 0.0014 Å |
b |
11.699 ± 0.006 Å |
c |
33.534 ± 0.0015 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2226 ± 1.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.064 |
Residual factor for significantly intense reflections |
0.051 |
Weighted residual factors for all reflections included in the refinement |
0.148 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2011330.html