Information card for entry 4036390

Structure parameters

• Formula: C24 H24 O4
• Calculated formula: C24 H24 O4
• SMILES: O=C1/C(=C\c2ccccc2)[C@](O)(C[C@](O)(C1)/C(=C/c1ccccc1)C(=O)C)C.O=C1/C(=C\c2ccccc2)[C@@](O)(C[C@@](O)(C1)/C(=C/c1ccccc1)C(=O)C)C
• Title of publication: Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.
• Authors of publication: Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 19
• Pages of publication: 9700 - 9712
• a: 7.992 ± 0.005 Å
• b: 9.923 ± 0.005 Å
• c: 12.384 ± 0.005 Å
• α: 82.119 ± 0.005°
• β: 86.351 ± 0.005°
• γ: 83.885 ± 0.005°
• Cell volume: 966.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No