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Information card for entry 7050623
Preview
Coordinates | 7050623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H54 B2 N4 O5 |
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Calculated formula | C34 H54 B2 N4 O5 |
SMILES | [B]12(OC(C(O1)(C)C)(C)C)c1c(cccc1)C1NCC[NH]21.[B]12(OC(C(O1)(C)C)(C)C)c1c(cccc1)C1NCC[NH]21.O1CCCC1 |
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 | 10.025 ± 0.0016 Å |
b | 10.914 ± 0.0017 Å |
c | 17.365 ± 0.003 Å |
α | 106.609 ± 0.002° |
β | 105.779 ± 0.002° |
γ | 93.244 ± 0.002° |
Cell volume | 1733.4 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0822 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1399 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
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/7050623.html
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