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Information card for entry 4502810
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Coordinates | 4502810.cif |
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Original paper (by DOI) | HTML |
Common name | 1Br, EtOAc |
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Chemical name | 1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, ethyl acetate |
Formula | C37 H41 Br3 O5 |
Calculated formula | C33 H33 Br3 O3 |
Title of publication | Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes |
Authors of publication | Bhattacharya, Suman; Saha, Binoy K. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 169 |
a | 9.8164 ± 0.0017 Å |
b | 13.401 ± 0.0016 Å |
c | 14.992 ± 0.003 Å |
α | 110.825 ± 0.014° |
β | 92.594 ± 0.015° |
γ | 90.18 ± 0.012° |
Cell volume | 1841.1 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1451 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.1439 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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