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Information card for entry 7053263
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Coordinates | 7053263.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4-di(bis(4'-hydroxy 3'-methylphenyl)methyl)benzene dimethylformamide solvate |
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Chemical name | 1,4-di[bis(4'-hydroxy 3'-methylphenyl)methyl]benzene dimethylformamide solvate |
Formula | C42 H48 N2 O6 |
Calculated formula | C36 H34 O4 |
SMILES | c1(c(cc(cc1)C(c1ccc(O)c(c1)C)c1ccc(C(c2cc(c(cc2)O)C)c2ccc(O)c(c2)C)cc1)C)O |
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 | 23.799 ± 0.002 Å |
b | 8.0974 ± 0.0008 Å |
c | 18.3595 ± 0.0015 Å |
α | 90° |
β | 113.226 ± 0.005° |
γ | 90° |
Cell volume | 3251.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1083 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.1694 |
Weighted residual factors for all reflections included in the refinement | 0.1857 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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