Information card for entry 7110799

Structure parameters

• Formula: C40 H50 N4 O8
• Calculated formula: C42.6667 H37.8333 N4 O8
• Title of publication: Encapsulation of two aromatics by a carcerand-like capsule of nanometre-scale dimensions
• Authors of publication: MacGillivray, Leonard R.; Diamente, Peter R.; Reid, Jennifer L.; Ripmeester, John A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 359
• a: 10.7307 ± 0.0007 Å
• b: 15.0753 ± 0.0009 Å
• c: 16.8818 ± 0.001 Å
• α: 95.727 ± 0.001°
• β: 94.86 ± 0.001°
• γ: 93.915 ± 0.002°
• Cell volume: 2699.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.2347
• Weighted residual factors for significantly intense reflections: 0.1863
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No