Information card for entry 4132696

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: 11.1132 ± 0.0005 Å
• b: 16.9436 ± 0.0008 Å
• c: 12.0212 ± 0.0006 Å
• α: 90°
• β: 104.743 ± 0.002°
• γ: 90°
• Cell volume: 2189.04 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No