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Information card for entry 4313257
Preview
Coordinates | 4313257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H37 B N6 O2 S Zn |
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Calculated formula | C37 H37 B N6 O2 S Zn |
SMILES | [Zn]12(Sc3ccc(O)cc3)[n]3c(cc(n3[BH](n3[n]1c(cc3C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)C)c1ccccc1.OC |
Title of publication | Zinc-Bound Thiolate-Disulfide Exchange: A Strategy for Inhibiting Metallo-β-lactamases |
Authors of publication | Heidi Boerzel; Margery Koeckert; Weiming Bu; Bernhard Spingler; Stephen J. Lippard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1604 - 1615 |
a | 11.966 ± 0.002 Å |
b | 12.276 ± 0.002 Å |
c | 13.119 ± 0.002 Å |
α | 114.226 ± 0.003° |
β | 99.203 ± 0.003° |
γ | 90.094 ± 0.003° |
Cell volume | 1729.9 ± 0.5 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/4313257.html
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