Information card for entry 2217123
Common name |
ethano-strapped 2,8-dichloro Tröger's base |
Chemical name |
2,8-Dichloro-6<i>H</i>,12<i>H</i>-5,11- ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Formula |
C16 H14 Cl2 N2 |
Calculated formula |
C16 H14 Cl2 N2 |
SMILES |
Clc1ccc2N3Cc4c(N(Cc2c1)CC3)ccc(Cl)c4 |
Title of publication |
2,8-Dichloro-6<i>H</i>,12<i>H</i>-5,11-ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine |
Authors of publication |
Faroughi, Masoud; Try, Andrew C.; Turner, Peter |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
1 |
Pages of publication |
o39 - o39 |
a |
6.8801 ± 0.0011 Å |
b |
10.1951 ± 0.0017 Å |
c |
10.2466 ± 0.0016 Å |
α |
85.32 ± 0.003° |
β |
84.956 ± 0.002° |
γ |
76.47 ± 0.003° |
Cell volume |
694.69 ± 0.19 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 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 |
0.0325 |
Residual factor for significantly intense reflections |
0.0309 |
Weighted residual factors for significantly intense reflections |
0.0871 |
Weighted residual factors for all reflections included in the refinement |
0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
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/2217123.html