Information card for entry 1519315

Structure parameters

• Formula: C54 H60 N4 O6
• Calculated formula: C54 H60 N4 O6
• Title of publication: 5,17-bis((6-methyl-2-pyridyl)amido)-25,26,27,28-tetrakis(propoxy)calix(4)arene
• Authors of publication: Lhotak, P. L.; Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 67
• a: 24.7998 ± 0.0005 Å
• b: 16.6806 ± 0.0003 Å
• c: 24.9057 ± 0.0005 Å
• α: 90°
• β: 107.161 ± 0.003°
• γ: 90°
• Cell volume: 9844.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No