Information card for entry 2212167
Common name |
2,3-<i>O</i>-Isopropylidene-L-apiono-1,4-lactone |
Chemical name |
(3<i>S</i>,4<i>S</i>)-3,4-dihydroxy-4-(hydroxymethyl)-3,4-di- <i>O</i>-isopropylidene-dihydrofuran-2(3<i>H</i>)-one |
Formula |
C8 H12 O5 |
Calculated formula |
C8 H12 O5 |
SMILES |
[C@]12([C@@H](C(=O)OC1)OC(O2)(C)C)CO |
Title of publication |
2,3-<i>O</i>-Isopropylidene-<small>L</small>-apiono-1,4-lactone [(3<i>S</i>,4<i>S</i>)-3,4-dihydroxy-4-(hydroxymethyl)-3,4-di-<i>O</i>-isopropylidene-4,5-dihydrofuran-2(3<i>H</i>)-one] |
Authors of publication |
Best, Daniel; Jenkinson, Sarah F.; David J. Watkin; Kathrine V. Booth; Fleet, George W. J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o1056 - o1057 |
a |
7.2075 ± 0.0002 Å |
b |
9.5645 ± 0.0003 Å |
c |
12.9851 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
895.14 ± 0.05 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 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 |
0.0321 |
Residual factor for significantly intense reflections |
0.0298 |
Weighted residual factors for all reflections |
0.0738 |
Weighted residual factors for significantly intense reflections |
0.0722 |
Weighted residual factors for all reflections included in the refinement |
0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.9547 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2212167.html