Information card for entry 2234976
Chemical name |
7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2<i>H</i>- chromen-2-one |
Formula |
C15 H17 O6 P |
Calculated formula |
C15 H17 O6 P |
SMILES |
P1(=O)(OCC(CO1)(C)C)Oc1ccc2c(c1)oc(=O)cc2C |
Title of publication |
7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2<i>H</i>-chromen-2-one |
Authors of publication |
Zhao, Yan-Ru; Hou, Xu-Feng; Xu, Zhi-Hong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
6 |
Pages of publication |
o1924 |
a |
7.309 ± 0.004 Å |
b |
17.01 ± 0.009 Å |
c |
25.507 ± 0.013 Å |
α |
90° |
β |
102.596 ± 0.017° |
γ |
90° |
Cell volume |
3095 ± 3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.1316 |
Residual factor for significantly intense reflections |
0.0523 |
Weighted residual factors for significantly intense reflections |
0.1038 |
Weighted residual factors for all reflections included in the refinement |
0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2234976.html