Information card for entry 7158400

Structure parameters

• Formula: C36 H32 N O P
• Calculated formula: C36 H32 N O P
• SMILES: C(=O)(/C=C/c1ccccc1)N([C@H](c1ccccc1)C)c1c(cccc1C)P(c1ccccc1)c1ccccc1
• Title of publication: Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.
• Authors of publication: Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 47
• Pages of publication: 10385 - 10389
• a: 8.3651 ± 0.0008 Å
• b: 13.6367 ± 0.0013 Å
• c: 25.424 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2900.2 ± 0.5 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: 0.0459
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No