Information card for entry 2212387
Common name |
3,9-dibromo-2,8-dimethyl Tröger's base |
Chemical name |
3,9-dibromo-2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine |
Formula |
C17 H16 Br2 N2 |
Calculated formula |
C17 H16 Br2 N2 |
SMILES |
Brc1cc2N3CN(Cc2cc1C)c1cc(Br)c(cc1C3)C |
Title of publication |
3,9-Dibromo-2,8-dimethyl-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Authors of publication |
Faroughi, Masoud; Scudder, Marcia; Turner, Peter; Jensen, Paul; Try, Andrew C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o1048 - o1050 |
a |
6.891 ± 0.0001 Å |
b |
10.0369 ± 0.0002 Å |
c |
12.0624 ± 0.0002 Å |
α |
99.826 ± 0.001° |
β |
95.971 ± 0.001° |
γ |
107.817 ± 0.001° |
Cell volume |
771.69 ± 0.02 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.088 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for significantly intense reflections |
0.072 |
Weighted residual factors for all reflections included in the refinement |
0.085 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2212387.html