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Information card for entry 7053262
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Coordinates | 7053262.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4-di(bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl)benzene dimethylsulfoxide solvate |
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Chemical name | 1,4-di[bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl]benzene dimethylsulfoxide solvate |
Formula | C44 H54 O14 S2 |
Calculated formula | C44 H54 O14 S2 |
SMILES | c1(c(c(c(cc1)C(c1c(OC)c(O)c(OC)cc1)c1ccc(C(c2c(c(c(cc2)OC)O)OC)c2c(OC)c(O)c(OC)cc2)cc1)OC)O)OC.O=S(C)C.O=S(C)C |
Title of publication | Supramolecular networks of a H-shaped aromatic phenol host |
Authors of publication | Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 4 |
Pages of publication | 623 |
a | 10.855 ± 0.0007 Å |
b | 14.204 ± 0.0009 Å |
c | 14.8984 ± 0.0009 Å |
α | 90° |
β | 111.17 ± 0.001° |
γ | 90° |
Cell volume | 2142.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0933 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1565 |
Weighted residual factors for all reflections included in the refinement | 0.1742 |
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 | No |
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The link is: https://www.crystallography.net/7053262.html
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