Information card for entry 7151169

Structure parameters

• Formula: C44 H56 N8 O8
• Calculated formula: C44 H56 N8 O8
• SMILES: C1CN(CCN(CCN(CCN1CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1
• Title of publication: Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles.
• Authors of publication: Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 3651 - 3656
• a: 11.0274 ± 0.0005 Å
• b: 8.9869 ± 0.0005 Å
• c: 21.255 ± 0.0008 Å
• α: 90°
• β: 91.304 ± 0.003°
• γ: 90°
• Cell volume: 2105.87 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No