Information card for entry 4132695

Structure parameters

• Formula: C29 H28 O
• Calculated formula: C29 H28 O
• SMILES: O(c1ccc([C@@H]([C@@H](c2cc(cc(c2)C)C)c2ccccc2)c2ccccc2)cc1)C.O(c1ccc([C@H]([C@H](c2cc(cc(c2)C)C)c2ccccc2)c2ccccc2)cc1)C
• Title of publication: Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.
• Authors of publication: Gao, Pin; Chen, Liang-An; Brown, M. Kevin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10653 - 10657
• a: 9.2426 ± 0.0013 Å
• b: 11.0042 ± 0.0015 Å
• c: 22.027 ± 0.003 Å
• α: 90°
• β: 90.723 ± 0.009°
• γ: 90°
• Cell volume: 2240.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No