Information card for entry 7212139

Structure parameters

• Formula: C109.15 H140 O90.18
• Calculated formula: C109.155 H140 O90.185
• 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: 19.156 ± 0.004 Å
• b: 24.075 ± 0.005 Å
• c: 32.596 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15033 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No