Information card for entry 1569429

Structure parameters

• Formula: C34 H33 N O3 S
• Calculated formula: C34 H33 N O3 S
• SMILES: S(=O)(=O)(c1n(C(=C\c2cc(ccc2)C)/c2c(O)ccc(c2)C(C)(C)C)c2c(c1)cccc2)c1ccc(cc1)C
• Title of publication: Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.
• Authors of publication: Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7999 - 8005
• a: 9.1729 ± 0.0004 Å
• b: 15.6495 ± 0.0007 Å
• c: 19.844 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2848.6 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No