Information card for entry 7160643

Structure parameters

• Formula: C32 H32 N O P
• Calculated formula: C32 H32 N O P
• Title of publication: Stereoinversion in Pd-catalyzed allylic substitution induced by modification of olefinic moiety in chiral phosphine-acrylamide ligands.
• Authors of publication: Watanabe, Kohei; Toba, Yuto; Mita, Shimpei; Kanda, Yusuke; Yagi, Toru; Kanauchi, Kento; Kumada, Manami; Yoshida, Yasushi; Kasashima, Yoshio; Takita, Ryo; Sakamoto, Masami; Mino, Takashi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 32
• Pages of publication: 7431 - 7438
• a: 8.8268 ± 0.0008 Å
• b: 16.7704 ± 0.0015 Å
• c: 17.9763 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2661 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0337
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No