Information card for entry 2209829
Common name |
<i>N,N'</i>-1,2-Phenylenebis(<i>N,N,N',N'</i>- tetramethyl)guanidine |
Formula |
C16 H28 N6 |
Calculated formula |
C16 H28 N6 |
SMILES |
c1(c(cccc1)N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C |
Title of publication |
2,2'-<i>o</i>-Phenylenebis(1,3-dimethylguanidine) |
Authors of publication |
Kawahata, Masatoshi; Yamaguchi, Kentaro; Ito, Tomoya; Ishikawa, Tsutomu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3301 - o3302 |
a |
7.6337 ± 0.0012 Å |
b |
8.58 ± 0.0013 Å |
c |
27.199 ± 0.004 Å |
α |
90° |
β |
97 ± 0.002° |
γ |
90° |
Cell volume |
1768.2 ± 0.5 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 K |
Number of distinct elements |
3 |
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 |
0.064 |
Residual factor for significantly intense reflections |
0.047 |
Weighted residual factors for significantly intense reflections |
0.125 |
Weighted residual factors for all reflections included in the refinement |
0.137 |
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/2209829.html