Information card for entry 7151731

Structure parameters

• Chemical name: (1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?
• Formula: C8 H12 Cl3 N O4
• Calculated formula: C8 H12 Cl3 N O4
• Title of publication: Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
• Authors of publication: Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2801 - 2808
• a: 39.705 ± 0.002 Å
• b: 5.8312 ± 0.0003 Å
• c: 20.2162 ± 0.0014 Å
• α: 90°
• β: 91.296 ± 0.002°
• γ: 90°
• Cell volume: 4679.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1714
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No