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Information card for entry 7053258
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7053258.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene isopropanol solvate |
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Chemical name | 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene isopropanol solvate |
Formula | C44 H58 O8 |
Calculated formula | C38 H42 O6 |
SMILES | c1(ccc(cc1)C(c1ccc(O)cc1)c1ccc(C(c2ccc(cc2)O)c2ccc(O)cc2)cc1)O.OC(C)C.OC(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 | 33.506 ± 0.003 Å |
b | 5.8797 ± 0.0004 Å |
c | 22.036 ± 0.002 Å |
α | 90° |
β | 115.061 ± 0.002° |
γ | 90° |
Cell volume | 3932.5 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1003 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.2116 |
Weighted residual factors for all reflections included in the refinement | 0.2296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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