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Information card for entry 7053942
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Coordinates | 7053942.cif |
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Original paper (by DOI) | HTML |
Common name | Br-ea, 262 K |
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Chemical name | 2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate |
Formula | C37 H41 Br3 O5 |
Calculated formula | C33 H33 Br3 O3 |
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 | 9.776 ± 0.0005 Å |
b | 13.3875 ± 0.0007 Å |
c | 14.9897 ± 0.001 Å |
α | 111.204 ± 0.006° |
β | 92.694 ± 0.005° |
γ | 90.304 ± 0.004° |
Cell volume | 1826.4 ± 0.2 Å3 |
Cell temperature | 262 ± 2 K |
Ambient diffraction temperature | 262 ± 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 | 0.1245 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1807 |
Weighted residual factors for all reflections included in the refinement | 0.2057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7053942.html
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