Information card for entry 1505472
Formula |
C18 H10 N2 O4 |
Calculated formula |
C18 H10 N2 O4 |
SMILES |
c1(cc(cc2C(C(=O)C3=C(C(=O)c4c3c(ccc4)O)c12)=N#N)C)O |
Title of publication |
Total synthesis of isoprekinamycin: structural evidence for enhanced diazonium ion character and growth inhibitory activity toward cancer cells. |
Authors of publication |
Liu, Wei; Buck, Matthew; Chen, Nan; Shang, Muhong; Taylor, Nicholas J.; Asoud, Jalil; Wu, Xing; Hasinoff, Brian B.; Dmitrienko, Gary I. |
Journal of publication |
Organic letters |
Year of publication |
2007 |
Journal volume |
9 |
Journal issue |
15 |
Pages of publication |
2915 - 2918 |
a |
4.8053 ± 0.0005 Å |
b |
14.6913 ± 0.0016 Å |
c |
18.927 ± 0.002 Å |
α |
90° |
β |
91.02 ± 0.003° |
γ |
90° |
Cell volume |
1336 ± 0.2 Å3 |
Cell temperature |
180 ± 2 K |
Ambient diffraction temperature |
180 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0847 |
Residual factor for significantly intense reflections |
0.0598 |
Weighted residual factors for significantly intense reflections |
0.0993 |
Weighted residual factors for all reflections included in the refinement |
0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.186 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1505472.html