Information card for entry 2233164
Chemical name |
9-(7-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,3,6,6-tetramethyl- 2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione |
Formula |
C26 H25 F O5 |
Calculated formula |
C26 H25 F O5 |
SMILES |
Fc1cc2occ(c(=O)c2cc1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C |
Title of publication |
9-(7-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione |
Authors of publication |
Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Fun, Hoong-Kun; Arshad, Suhana |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o38 |
a |
6.9475 ± 0.0008 Å |
b |
18.596 ± 0.002 Å |
c |
17.559 ± 0.002 Å |
α |
90° |
β |
93.658 ± 0.002° |
γ |
90° |
Cell volume |
2263.9 ± 0.4 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
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 |
0.085 |
Residual factor for significantly intense reflections |
0.0518 |
Weighted residual factors for significantly intense reflections |
0.1304 |
Weighted residual factors for all reflections included in the refinement |
0.1501 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
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/2233164.html