Information card for entry 2200352

Structure parameters

• Common name: Cholesteryl Trichloroacetimidate
• Formula: C31.5 H51 Cl3 N O1.5
• Calculated formula: C31.5 H51 Cl3 N O1.5
• Title of publication: 1-(Cholest-4-en-3β-yl)-2,2,2-trichloroethanimidate <i>tert</i>-butyl methyl ether hemisolvate
• Authors of publication: Simon Fielder; Daryl D. Rowan; Michael S. Sherburn; Anthony K. Burrell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o533 - o534
• a: 29.037 ± 0.013 Å
• b: 9.072 ± 0.006 Å
• c: 12.628 ± 0.006 Å
• α: 90°
• β: 109.14 ± 0.07°
• γ: 90°
• Cell volume: 3143 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.221
• 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: No
• Has Fobs: Yes