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Information card for entry 7053261
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Coordinates | 7053261.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4-di(bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl)benzene dioxane solvate |
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Chemical name | 1,4-di[bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl]benzene dioxane solvate |
Formula | C48 H58 O16 |
Calculated formula | C48 H42 O16 |
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 | 9.039 ± 0.004 Å |
b | 10.605 ± 0.004 Å |
c | 13.461 ± 0.006 Å |
α | 101.94 ± 0.007° |
β | 98.428 ± 0.008° |
γ | 112.198 ± 0.007° |
Cell volume | 1132.3 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1617 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1797 |
Weighted residual factors for all reflections included in the refinement | 0.2208 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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