Information card for entry 7104390

Structure parameters

• Formula: C65 H69 Cl3 N4 O8
• Calculated formula: C65 H69 Cl3 N4 O8
• Title of publication: Cycloaddition to an anthracene-derived macrocyclic receptor with supramolecular control of regioselectivity.
• Authors of publication: Gassensmith, Jeremiah J; Baumes, Jeffrey M; Eberhard, Jens; Smith, Bradley D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 2517 - 2519
• a: 12.5937 ± 0.0005 Å
• b: 13.2158 ± 0.0005 Å
• c: 18.7174 ± 0.0008 Å
• α: 73.655 ± 0.002°
• β: 88.986 ± 0.002°
• γ: 79.997 ± 0.002°
• Cell volume: 2942.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No