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Information card for entry 4027488
Preview
Coordinates | 4027488.cif |
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Original paper (by DOI) | HTML |
Common name | 2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene |
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Chemical name | 2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-o-dichlorobenzene |
Formula | C30 H32 Cl2 O2 |
Calculated formula | C30 H30 Cl2 O2 |
Title of publication | Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry |
Authors of publication | Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 7858 - 7865 |
a | 8.0967 ± 0.0018 Å |
b | 17.94 ± 0.004 Å |
c | 17.98 ± 0.004 Å |
α | 89.165 ± 0.004° |
β | 83.195 ± 0.005° |
γ | 89.235 ± 0.004° |
Cell volume | 2592.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.1908 |
Weighted residual factors for all reflections included in the refinement | 0.2122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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