Crystallography Open Database

Information card for entry 7160643

Preview

Coordinates	7160643.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
302750 (current)	2025-10-06	cif/ Updating files of 7160641, 7160642, 7160643 Original log message: Adding full bibliography for 7160641--7160643.cif.	7160643.cif
301298	2025-07-19	cif/ Adding structures of 7160641, 7160642, 7160643 via cif-deposit CGI script.	7160643.cif