Information card for entry 7156654

Structure parameters

• Formula: C42 H41 Cl3 N P
• Calculated formula: C42 H41 Cl3 N P
• Title of publication: Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.
• Authors of publication: Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1455 - 1465
• a: 10.1412 ± 0.0001 Å
• b: 17.5089 ± 0.0002 Å
• c: 19.7319 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3503.62 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0392
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No