Information card for entry 1555021

Structure parameters

• Chemical name: 6-((2-hydroxyphenyl)(phenyl)methyl)cyclohex-2-enone
• Formula: C19 H18 O2
• Calculated formula: C19 H18 O2
• SMILES: Oc1c([C@H](c2ccccc2)[C@H]2C(=O)C=CCC2)cccc1.Oc1c([C@@H](c2ccccc2)[C@@H]2C(=O)C=CCC2)cccc1
• Title of publication: Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.
• Authors of publication: Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2278 - 2281
• a: 12.91 ± 0.005 Å
• b: 9.664 ± 0.005 Å
• c: 12.157 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1516.7 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No