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Information card for entry 4515176
Preview
Coordinates | 4515176.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | rifampicin methanol trisolvate |
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Formula | C46 H70 N4 O15 |
Calculated formula | C46 H70 N4 O15 |
SMILES | Oc1c2NC(=O)/C(=C\C=C\[C@@H]([C@H](O)[C@H]([C@@H](O)[C@H]([C@H](OC(=O)C)[C@@H]([C@@H](OC)/C=C/O[C@]3(Oc4c(c(c(O)c2/C=N/N2CC[NH+](CC2)C)c1c([O-])c4C)C3=O)C)C)C)C)C)C.OC.OC.OC |
Title of publication | Specific Interactions between Rifamycin Antibiotics and Water Influencing Ability To Overcome Natural Cell Barriers and the Range of Antibacterial Potency. |
Authors of publication | Pyta, Krystian; Janas, Anna; Skrzypczak, Natalia; Schilf, Wojciech; Wicher, Barbara; Gdaniec, Maria; Bartl, Franz; Przybylski, Piotr |
Journal of publication | ACS infectious diseases |
Year of publication | 2019 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 1754 - 1763 |
a | 10.1242 ± 0.0006 Å |
b | 13.9473 ± 0.0006 Å |
c | 35.3927 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4997.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1721 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.0695 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
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/4515176.html
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Users of the data should acknowledge the original authors of the
structural data.