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Information card for entry 7713377
Preview
Coordinates | 7713377.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H34 Cl Cu N5 O2 |
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Calculated formula | C29 H34 Cl Cu N5 O2 |
SMILES | [Cu]12([n]3c(C(=[N]2N=C2N1CCCc1ccccc1c1c2[nH]c2ccccc12)C)cccc3)Cl.OC.OC(C)C |
Title of publication | Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents |
Authors of publication | Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 7.632 ± 0.0008 Å |
b | 11.6124 ± 0.0012 Å |
c | 16.5842 ± 0.0017 Å |
α | 90.668 ± 0.003° |
β | 93.199 ± 0.003° |
γ | 105.631 ± 0.003° |
Cell volume | 1412.7 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7713377.html
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