Information card for entry 7119811

Structure parameters

• Formula: C250 H226 Mg24 N2 O120
• Calculated formula: C250 H226 Mg24 N2 O120
• Title of publication: Self-assembly of magnesium-seamed hexameric pyrogallol[4]arene nanocapsules.
• Authors of publication: Zhang, Chen; Patil, Rahul S.; Li, Tao; Barnes, Charles L.; Atwood, Jerry L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4312 - 4314
• a: 26.113 ± 0.002 Å
• b: 26.276 ± 0.002 Å
• c: 27.96 ± 0.002 Å
• α: 93.634 ± 0.004°
• β: 92.074 ± 0.005°
• γ: 90.16 ± 0.005°
• Cell volume: 19133 ± 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: 0.2219
• Residual factor for significantly intense reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.4686
• Weighted residual factors for all reflections included in the refinement: 0.5144
• Goodness-of-fit parameter for all reflections included in the refinement: 2.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No