Information card for entry 4103437

Structure parameters

• Formula: C75.5 H67 I0.5 N0.5 O10 P2
• Calculated formula: C75.5 H67 I0.5 N0.5 O10 P2
• Title of publication: Restricted Guest Tumbling in Phosphorylated Self-Assembled Capsules
• Authors of publication: Steven Harthong; Béatrice Dubessy; Jérôme Vachon; Christophe Aronica; Jean-Christophe Mulatier; Jean-Pierre Dutasta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15637 - 15643
• a: 14.634 ± 0.005 Å
• b: 15.22 ± 0.005 Å
• c: 19.417 ± 0.005 Å
• α: 108.272 ± 0.005°
• β: 100.008 ± 0.005°
• γ: 106.075 ± 0.005°
• Cell volume: 3782 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections: 0.2419
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1906
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No