Information card for entry 7160642

Structure parameters

• Formula: C36 H32 N O P
• Calculated formula: C36 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: 8.631 ± 0.003 Å
• b: 11.371 ± 0.004 Å
• c: 29.685 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2913.4 ± 1.8 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: 0.1559
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No