Information card for entry 1569408

Structure parameters

• Formula: C432 H334 Ca24 Cl6 O186
• Calculated formula: C432 H334 Ca24 Cl6 O200
• Title of publication: Nanocapsules of unprecedented internal volume seamed by calcium ions.
• Authors of publication: Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 9063 - 9067
• a: 31.196 ± 0.003 Å
• b: 31.607 ± 0.003 Å
• c: 44.006 ± 0.004 Å
• α: 90°
• β: 91.733 ± 0.002°
• γ: 90°
• Cell volume: 43371 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1893
• Residual factor for significantly intense reflections: 0.1663
• Weighted residual factors for significantly intense reflections: 0.4734
• Weighted residual factors for all reflections included in the refinement: 0.5175
• Goodness-of-fit parameter for all reflections included in the refinement: 2.606
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No