Information card for entry 2211807
Common name |
PMOC2 |
Chemical name |
2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene |
Formula |
C12 H15 Br3 |
Calculated formula |
C12 H15 Br3 |
SMILES |
BrCc1c(C)c(CBr)c(c(CBr)c1C)C |
Title of publication |
2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene |
Authors of publication |
Murray, Pieter; Willans, Charlotte; Bredenkamp, Martin W.; Gertenbach, Jan-André |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
1 |
Pages of publication |
o224 - o225 |
a |
9.3961 ± 0.0016 Å |
b |
9.4512 ± 0.0016 Å |
c |
9.4846 ± 0.0016 Å |
α |
117.452 ± 0.002° |
β |
109.115 ± 0.002° |
γ |
101.278 ± 0.003° |
Cell volume |
643.08 ± 0.19 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.036 |
Residual factor for significantly intense reflections |
0.028 |
Weighted residual factors for significantly intense reflections |
0.065 |
Weighted residual factors for all reflections included in the refinement |
0.069 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2211807.html