Information card for entry 7159242

Structure parameters

• Formula: C34 H34 N O2 P
• Calculated formula: C34 H34 N O2 P
• SMILES: c1(ccccc1)P(c1ccccc1)c1c(c(ccc1)OC)N(C(=O)/C=C/c1ccccc1)C1CCCCC1
• Title of publication: Axially chiral <i>N</i>-alkyl-<i>N</i>-cinnamoyl amide type P,olefin ligands for Pd-catalyzed reactions.
• Authors of publication: Mino, Takashi; Takaya, Kaho; Koki, Kaito; Akimoto, Natsume; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2775 - 2778
• a: 9.2573 ± 0.0002 Å
• b: 17.7086 ± 0.0004 Å
• c: 17.8309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2923.09 ± 0.11 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: 0.0432
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No