Crystallography Open Database

Information card for entry 7160567

Preview

Coordinates	7160567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 N2 O2 P2 S2
Calculated formula	C31 H26 N2 O2 P2 S2
Title of publication	Copper(I)-catalyzed asymmetric addition of diarylphosphine sulfides to aldimines.
Authors of publication	Xie, Dong-Liang; Tian, Hu; Yin, Liang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	25
Pages of publication	6106 - 6110
a	13.1496 ± 0.0003 Å
b	14.1579 ± 0.0004 Å
c	15.3629 ± 0.0004 Å
α	90°
β	90.38 ± 0.001°
γ	90°
Cell volume	2860.06 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301141 (current)	2025-07-06	cif/ Updating files of 7160567 Original log message: Adding full bibliography for 7160567.cif.	7160567.cif
299861	2025-05-29	cif/ Adding structures of 7160567 via cif-deposit CGI script.	7160567.cif