Information card for entry 4029533

Structure parameters

• Formula: C22 H20 O2
• Calculated formula: C22 H20 O2
• SMILES: O1[C@](c2ccccc2)(C2=C(C(=O)C[C@@H]2C1)/C=C/c1ccccc1)C
• Title of publication: Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.
• Authors of publication: Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 5484 - 5493
• a: 8.351 ± 0.009 Å
• b: 11.258 ± 0.011 Å
• c: 18.802 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2546
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No