Information card for entry 7050620

Structure parameters

• Formula: C96 H138 B4 N16 O9
• 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 ų
• 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