Information card for entry 2221724
Chemical name |
7,14-Bis(4-methoxyphenyl)-11,11-dimethyl-1,4,10,12- tetraoxadispiro[4.2.5.2]pentadecane-9,13-dione |
Formula |
C27 H30 O8 |
Calculated formula |
C27 H30 O8 |
SMILES |
O1C(=O)C2([C@@H](CC3(OCCO3)C[C@@H]2c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)OC1(C)C |
Title of publication |
7,14-Bis(4-methoxyphenyl)-11,11-dimethyl-1,4,10,12-tetraoxadispiro[4.2.5.2]pentadecane-9,13-dione |
Authors of publication |
Zhang, Jinpeng; Yan, Shu; Ding, Jie |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1076 |
a |
9.977 ± 0.005 Å |
b |
20.162 ± 0.009 Å |
c |
12.508 ± 0.006 Å |
α |
90° |
β |
94.934 ± 0.008° |
γ |
90° |
Cell volume |
2507 ± 2 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 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 |
0.2361 |
Residual factor for significantly intense reflections |
0.0747 |
Weighted residual factors for significantly intense reflections |
0.1392 |
Weighted residual factors for all reflections included in the refinement |
0.1874 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.005 |
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/2221724.html