Information card for entry 7212138

Structure parameters

• Formula: C318.5 H634.5 O281.2
• Calculated formula: C318.5 H634.438 O281.16
• 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: 15.4573 ± 0.0008 Å
• b: 20.2952 ± 0.001 Å
• c: 35.997 ± 0.0017 Å
• α: 101.17 ± 0.003°
• β: 102.112 ± 0.002°
• γ: 98.015 ± 0.002°
• Cell volume: 10639.4 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No