Information card for entry 2009298

Structure parameters

• Chemical name: rac-(3R,5S)-5-(1-cyclopropyl-1-methyl-ethyl)-3,5-diphenyl-dihydrofuran-2-one
• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: O1[C@](c2ccccc2)(C[C@@H](c2ccccc2)C1=O)C(C)(C1CC1)C.O1[C@@](c2ccccc2)(C[C@H](c2ccccc2)C1=O)C(C1CC1)(C)C
• Title of publication: <i>rac</i>-(3<i>R</i>,5<i>S</i>)-5-(1-Cyclopropyl-1-methylethyl)-3,5-diphenyl-2,3,4,5-tetrahydrofuran-2-one, a triclinic structure with local monoclinic pseudosymmetry
• Authors of publication: Bats, Jan W.; Hoyer, Karsten; Mulzer, Johann
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2124 - 2126
• a: 8.4311 ± 0.0012 Å
• b: 14.505 ± 0.002 Å
• c: 15.609 ± 0.003 Å
• α: 73.317 ± 0.01°
• β: 85.702 ± 0.018°
• γ: 89.375 ± 0.01°
• Cell volume: 1823.3 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.708
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No