Information card for entry 2220669
Common name |
1,7-Diethyl ester Tröger's base |
Chemical name |
Diethyl 6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine- 1,7-dicarboxylate |
Formula |
C21 H22 N2 O4 |
Calculated formula |
C21 H22 N2 O4 |
Title of publication |
Diethyl 6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-1,7-dicarboxylate |
Authors of publication |
Bhuiyan, M. Delower H.; Clegg, Jack K.; Try, Andrew C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
1 |
Pages of publication |
o187 |
a |
14.306 ± 0.003 Å |
b |
9.251 ± 0.002 Å |
c |
15.081 ± 0.004 Å |
α |
90° |
β |
118.149 ± 0.004° |
γ |
90° |
Cell volume |
1759.8 ± 0.7 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0401 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for significantly intense reflections |
0.0956 |
Weighted residual factors for all reflections included in the refinement |
0.099 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
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/2220669.html