Information card for entry 1545489
Chemical name |
1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene |
Formula |
C9 H3 Cl9 |
Calculated formula |
C9 H3 Cl9 |
SMILES |
ClC(Cl)c1c(Cl)c(c(Cl)c(c1Cl)C(Cl)Cl)C(Cl)Cl |
Title of publication |
1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene |
Authors of publication |
Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner |
Journal of publication |
IUCrData |
Year of publication |
2017 |
Journal volume |
2 |
Journal issue |
2 |
Pages of publication |
x170227 |
a |
9.5435 ± 0.0002 Å |
b |
9.5435 ± 0.0002 Å |
c |
15.9424 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1452.01 ± 0.06 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
3 |
Space group number |
78 |
Hermann-Mauguin space group symbol |
P 43 |
Hall space group symbol |
P 4cw |
Residual factor for all reflections |
0.0575 |
Residual factor for significantly intense reflections |
0.0553 |
Weighted residual factors for significantly intense reflections |
0.133 |
Weighted residual factors for all reflections included in the refinement |
0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.105 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/1545489.html