Information card for entry 1519316

Structure parameters

• Formula: C54 H61 N4 O6
• Calculated formula: C54 H61 N4 O6
• Title of publication: 5,17-bis((2-pyridyl)methylamido)-25,26,27,28-tetrakis(propoxy)calix(4)arene
• Authors of publication: Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Lhotak, P. L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 68
• a: 20.5733 ± 0.0004 Å
• b: 17.9742 ± 0.0003 Å
• c: 25.3788 ± 0.0005 Å
• α: 90°
• β: 101.582 ± 0.003°
• γ: 90°
• Cell volume: 9193.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2027
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No