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Information card for entry 7005769
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Coordinates | 7005769.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [BSBH(m-OEt)]2 - H2O |
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Formula | C44 H56 B2 N4 O9 |
Calculated formula | C44 H56 B2 N4 O9 |
Title of publication | Modifications of boronic ester pro-chelators triggered by hydrogen peroxide tune reactivity to inhibit metal-promoted oxidative stress. |
Authors of publication | Charkoudian, Louise K.; Pham, David M.; Kwon, Ashley M.; Vangeloff, Abbey D.; Franz, Katherine J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 43 |
Pages of publication | 5031 - 5042 |
a | 18.293 ± 0.007 Å |
b | 8.639 ± 0.003 Å |
c | 29.494 ± 0.01 Å |
α | 90° |
β | 100.504 ± 0.005° |
γ | 90° |
Cell volume | 4583 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1576 |
Residual factor for significantly intense reflections | 0.0828 |
Weighted residual factors for significantly intense reflections | 0.2349 |
Weighted residual factors for all reflections included in the refinement | 0.2631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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