Information card for entry 4502850

Structure parameters

• Common name: 2:1 Cholesterol:hexanol solvate
• Formula: C60 H106 O3
• Calculated formula: C60 H106 O3
• Title of publication: Tracking the Structural Changes in a Series of Cholesterol Solvates
• Authors of publication: Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 231
• a: 42.982 ± 0.002 Å
• b: 10.3695 ± 0.0007 Å
• c: 6.2684 ± 0.0004 Å
• α: 90°
• β: 96.166 ± 0.003°
• γ: 90°
• Cell volume: 2777.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No