Information card for entry 1569430

Structure parameters

• Formula: C57 H54 Cl4 N2 O4 P Rh
• Calculated formula: C57 H54 Cl4 N2 O4 P Rh
• 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: 14.7897 ± 0.0015 Å
• b: 13.9358 ± 0.0014 Å
• c: 27.027 ± 0.003 Å
• α: 90°
• β: 103.411 ± 0.004°
• γ: 90°
• Cell volume: 5418.5 ± 1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No