Information card for entry 1560125

Structure parameters

• Formula: C24 H20 O4
• Calculated formula: C24 H20 O4
• SMILES: O(C(=O)/C(=C/c1ccccc1)c1c2c(ccc1/C=C/C(=O)OC)cccc2)C
• Title of publication: Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation
• Authors of publication: Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3726 - 3732
• a: 8.9924 ± 0.0001 Å
• b: 19.5139 ± 0.0002 Å
• c: 23.2425 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4078.52 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.578
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No