Information card for entry 2200682

Structure parameters

• Chemical name: (±)-(1RS,2SR)-1,2-Di(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethan
• Formula: C28 H30 O2
• Calculated formula: C28 H30 O2
• Title of publication: (±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane
• Authors of publication: Ibrahim, Hasim; Bach, Thorsten; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1145 - o1146
• a: 10.8658 ± 0.0007 Å
• b: 9.4435 ± 0.0005 Å
• c: 11.7323 ± 0.0008 Å
• α: 90°
• β: 112.74 ± 0.006°
• γ: 90°
• Cell volume: 1110.29 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes