Information card for entry 1100252

Structure parameters

• Chemical name: (±)-(1RS,2SR)-1,2-bis(2'-Methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane
• Formula: C28 H30 O2
• Calculated formula: C56 H66 O4
• Title of publication: (±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane
• Authors of publication: Ibrahim, H.; Bach, T.; Harms, K.
• 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 ų
• Ambient diffraction temperature: 213 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 significantly intense reflections: 5.8
• Weighted residual factors for significantly intense reflections: 5.8
• Duplicate of: 2200682
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No