Information card for entry 7214356

Structure parameters

• Formula: C436 H556 Cu24 O96
• Calculated formula: C384 H477 Cu24 O105.5
• Title of publication: Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths
• Authors of publication: Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3718
• a: 22.0457 ± 0.0007 Å
• b: 22.4594 ± 0.0007 Å
• c: 23.5621 ± 0.0008 Å
• α: 65.687 ± 0.002°
• β: 82.024 ± 0.002°
• γ: 74.965 ± 0.002°
• Cell volume: 10261 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1057
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No