Information card for entry 7054147

Structure parameters

• Formula: C30 H24 B2 Cl6 N2 O3
• Calculated formula: C30 H24 B2 Cl6 N2 O3
• Title of publication: Dynamic covalent self-assembled macrocycles prepared from 2-formyl-aryl-boronic acids and 1,2-amino alcohols
• Authors of publication: Galbraith, Ewan; Kelly, Andrew M.; Fossey, John S.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Bull, Steven D.; James, Tony D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 181
• a: 9.9035 ± 0.0001 Å
• b: 12.138 ± 0.0002 Å
• c: 13.9067 ± 0.0002 Å
• α: 78.842 ± 0.001°
• β: 72.3618 ± 0.001°
• γ: 83.1794 ± 0.001°
• Cell volume: 1559.77 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No