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Information card for entry 7240635
Preview
Coordinates | 7240635.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H58 Cl6 N6 |
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Calculated formula | C34 H58 Cl6 N6 |
SMILES | ClC(Cl)Cl.ClC(Cl)Cl.N12CN(CN3C1C1N([C@H]4[C@H]3CCCC4)CN(CN1[C@H]1[C@H]2CCCC1)C1CCCCCC1)C1CCCCCC1.ClC(Cl)Cl.ClC(Cl)Cl.N12CN(CN3C1C1N([C@@H]4[C@@H]3CCCC4)CN(CN1[C@@H]1[C@@H]2CCCC1)C1CCCCCC1)C1CCCCCC1 |
Title of publication | Synthesis, structure, and antitumor activity of 2,9-disubstituted perhydro 2,3a,7b,9,10a,14b-hexaazadibenzotetracenes |
Authors of publication | Rakhimova, Elena B.; Kirsanov, Victor Yu.; Tret'yakova, Elena V.; Khalilov, Leonard M.; Ibragimov, Askhat G.; Dzhemileva, Lilya U.; D'yakonov, Vladimir A.; Dzhemilev, Usein M. |
Journal of publication | RSC Advances |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 36 |
Pages of publication | 21039 - 21048 |
a | 10.1228 ± 0.001 Å |
b | 10.5481 ± 0.0011 Å |
c | 19.5768 ± 0.0019 Å |
α | 78.37 ± 0.009° |
β | 85.218 ± 0.008° |
γ | 72.376 ± 0.009° |
Cell volume | 1950.8 ± 0.4 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 | 0.26 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1721 |
Weighted residual factors for all reflections included in the refinement | 0.2723 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
Diffraction radiation probe | x-ray |
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/7240635.html
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Users of the data should acknowledge the original authors of the
structural data.