Information card for entry 7150992

Structure parameters

• Formula: C17.5 H18 Cl6.67 N0.67 O4.67
• Calculated formula: C17.5 H18 Cl6.66667 N0.666667 O4.66667
• Title of publication: Ammonium-directed dihydroxylation of 3-aminocyclohex-1-enes: development of a metal-free dihydroxylation protocol
• Authors of publication: Aciro, Caroline; Claridge, Timothy D. W.; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3751 - 3761
• a: 24.5125 ± 0.0002 Å
• b: 9.8211 ± 0.0001 Å
• c: 30.9595 ± 0.0004 Å
• α: 90°
• β: 106.71 ± 0.0005°
• γ: 90°
• Cell volume: 7138.47 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No