Information card for entry 4103436

Structure parameters

• Formula: C76 H62 Cl4 O12 P2
• Calculated formula: C76 H62 Cl4 O12 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: 11.4032 ± 0.0011 Å
• b: 15.5339 ± 0.0016 Å
• c: 21.616 ± 0.002 Å
• α: 102.01 ± 0.005°
• β: 94.551 ± 0.005°
• γ: 109.412 ± 0.006°
• Cell volume: 3486.2 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1955
• Residual factor for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections: 0.1983
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No