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Information card for entry 4519318
Preview
Coordinates | 4519318.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate |
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Formula | C44 H92 Br2 N4 O |
Calculated formula | C44 H92 Br2 N4 O |
Title of publication | Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs. |
Authors of publication | Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G. |
Journal of publication | ACS omega |
Year of publication | 2022 |
Journal volume | 7 |
Journal issue | 3 |
Pages of publication | 3073 - 3082 |
a | 5.8282 ± 0.0016 Å |
b | 6.931 ± 0.0019 Å |
c | 56.791 ± 0.015 Å |
α | 90° |
β | 92.934 ± 0.003° |
γ | 90° |
Cell volume | 2291.1 ± 1.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
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/4519318.html
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Users of the data should acknowledge the original authors of the
structural data.