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Information card for entry 7053915
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Coordinates | 7053915.cif |
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Original paper (by DOI) | HTML |
Common name | Cl-gf, 154 K |
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Chemical name | 2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene |
Formula | C33 H33 Cl3 O3 |
Calculated formula | C33 H33 Cl3 O3 |
SMILES | Clc1ccc(OCc2c(c(COc3ccc(Cl)cc3)c(c(COc3ccc(Cl)cc3)c2CC)CC)CC)cc1 |
Title of publication | The effect of temperature on interhalogen interactions in a series of isostructural organic systems |
Authors of publication | Saraswatula, Viswanadha G.; Saha, Binoy K. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 3 |
Pages of publication | 897 |
a | 19.069 ± 0.0007 Å |
b | 13.3847 ± 0.0004 Å |
c | 24.7369 ± 0.0009 Å |
α | 90° |
β | 110.263 ± 0.004° |
γ | 90° |
Cell volume | 5922.9 ± 0.4 Å3 |
Cell temperature | 154 ± 2 K |
Ambient diffraction temperature | 154 ± 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 | 0.0892 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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