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Information card for entry 7050620
Preview
Coordinates | 7050620.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H138 B4 N16 O9 |
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Calculated formula | C96 H134 B4 N16 O9 |
Title of publication | Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters |
Authors of publication | Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 10 |
Pages of publication | 1419 |
a | 19.5646 ± 0.0009 Å |
b | 16.3302 ± 0.0008 Å |
c | 31.1144 ± 0.0016 Å |
α | 90° |
β | 107.548 ± 0.001° |
γ | 90° |
Cell volume | 9478.3 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.117 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1563 |
Weighted residual factors for all reflections included in the refinement | 0.1817 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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