Information card for entry 2103556
Formula |
C13 H20 O7 |
Calculated formula |
C13 H20 O7 |
SMILES |
O1[C@]2(O[C@@]3(O[C@@](O[C@@H]([C@]13CO)C)([C@H]2C(=O)OC)C)C)C.O1[C@@]2(O[C@]3(O[C@](O[C@H]([C@@]13CO)C)([C@@H]2C(=O)OC)C)C)C |
Title of publication |
Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane |
Authors of publication |
Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. |
Journal of publication |
Acta Crystallographica Section B |
Year of publication |
2001 |
Journal volume |
57 |
Journal issue |
1 |
Pages of publication |
63 - 71 |
a |
8.629 ± 0.006 Å |
b |
11.047 ± 0.007 Å |
c |
14.573 ± 0.004 Å |
α |
90° |
β |
91.66 ± 0.01° |
γ |
90° |
Cell volume |
1388.6 ± 1.4 Å3 |
Cell temperature |
293 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.047 |
Residual factor for significantly intense reflections |
0.047 |
Weighted residual factors for all reflections |
0.063 |
Weighted residual factors for all reflections included in the refinement |
0.063 |
Goodness-of-fit parameter for all reflections |
1 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
1.54179 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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