Information card for entry 7212140

Structure parameters

• Formula: C208 H403.4 O171.7
• Calculated formula: C208 H406.6 O171.3
• Title of publication: Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds
• Authors of publication: Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1450
• a: 29.4201 ± 0.0001 Å
• b: 29.8907 ± 0.0002 Å
• c: 30.6856 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26984.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No