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Information card for entry 2234139
Preview
Coordinates | 2234139.cif |
---|---|
Structure factors | 2234139.hkl |
Original IUCr paper | HTML |
Common name | 2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]- 1-(3,4,5-trimethoxyphenyl)ethane |
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Chemical name | 5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5- trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene |
Formula | C34 H36 Cl2 O7 |
Calculated formula | C34 H36 Cl2 O7 |
SMILES | c1(ccc(cc1)C[C@H](c1cc(c(c(c1)OC)OC)OC)O[C@H](Cc1ccc(cc1)Cl)c1cc(c(c(c1)OC)OC)OC)Cl.c1(ccc(cc1)C[C@@H](c1cc(c(c(c1)OC)OC)OC)O[C@@H](Cc1ccc(cc1)Cl)c1cc(c(c(c1)OC)OC)OC)Cl |
Title of publication | 5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene |
Authors of publication | Fu, Ying; Yuan, Mu; Hu, Xuemei; Yang, Yanshou; Hou, Hongxia |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | o1007 |
a | 13.3326 ± 0.0008 Å |
b | 13.5487 ± 0.0008 Å |
c | 18.1703 ± 0.0011 Å |
α | 90° |
β | 100.036 ± 0.003° |
γ | 90° |
Cell volume | 3232 ± 0.3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234139.html
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