Information card for entry 2208994
Chemical name |
Dibenzo[a-4,5;a'-10,11]-3,12-diazatetracyclo[12.3.1.1^3,6^.1^9,12^] eicosa-6(19),7,9(20),14(18),15,17-hexene |
Formula |
C26 H20 N2 |
Calculated formula |
C26 H20 N2 |
SMILES |
c1cc2cc(c1)Cn1cc(c3c1cccc3)/C=C\c1cn(C2)c2ccccc12 |
Title of publication |
1,9-Diazahexacyclo[17.6.1.1^3,7^.1^9,16^.0^10,15^.0^20,25^]hexacosa-3,5,7(26),10(15),11,13,16(27),17,19(28),20(25),21,23-dodecaene |
Authors of publication |
G. Senthil Kumar; K. Chinnakali; M. Gayatri Swaroop; P. Rajakumar; Hoong-Kun Fun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
5 |
Pages of publication |
o1809 - o1811 |
a |
19.6434 ± 0.0009 Å |
b |
11.2843 ± 0.0005 Å |
c |
9.0441 ± 0.0003 Å |
α |
90° |
β |
112.635 ± 0.004° |
γ |
90° |
Cell volume |
1850.32 ± 0.14 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
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 |
0.1324 |
Residual factor for significantly intense reflections |
0.0514 |
Weighted residual factors for significantly intense reflections |
0.1204 |
Weighted residual factors for all reflections included in the refinement |
0.1543 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.969 |
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/2208994.html