Information card for entry 2202262
Common name |
Hydrindantin |
Chemical name |
2,2'-Dihydroxy-[2,2'-bi-1H-indene]-1,1',3,3'-(2H,2'H)-tetrone dihydrate |
Formula |
C18 H14 O8 |
Calculated formula |
C18 H14 O8 |
SMILES |
O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2c(C1=O)cccc2.O.O |
Title of publication |
2,2'-Dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1',3,3'-(2<i>H</i>,2'<i>H</i>)-tetrone dihydrate |
Authors of publication |
Daniel E. Lynch |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2003 |
Journal volume |
59 |
Journal issue |
8 |
Pages of publication |
o1133 - o1134 |
a |
8.4479 ± 0.0004 Å |
b |
12.4759 ± 0.0006 Å |
c |
7.9293 ± 0.0004 Å |
α |
90° |
β |
100.634 ± 0.003° |
γ |
90° |
Cell volume |
821.36 ± 0.07 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1017 |
Residual factor for significantly intense reflections |
0.0522 |
Weighted residual factors for significantly intense reflections |
0.1018 |
Weighted residual factors for all reflections included in the refinement |
0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
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/2202262.html