Information card for entry 7105434

Structure parameters

• Common name: Ammies Zwitterion
• Formula: C33 H51 N3 O15
• Calculated formula: C33 H46.5 N3 O15
• Title of publication: A water soluble, anion-binding zwitterionic capsule based on electrostatic interactions between self-complementary hemispheres.
• Authors of publication: Cresswell, Ammie L; Piepenbrock, Marc-Oliver M; Steed, Jonathan W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2787 - 2789
• a: 10.5704 ± 0.0015 Å
• b: 17.283 ± 0.002 Å
• c: 19.733 ± 0.003 Å
• α: 82.8 ± 0.003°
• β: 89.161 ± 0.003°
• γ: 80.989 ± 0.003°
• Cell volume: 3532.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No