Crystallography Open Database

Information card for entry 1566997

Preview

Coordinates	1566997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 N2 O S
Calculated formula	C23 H26 N2 O S
Title of publication	Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.
Authors of publication	Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	22
Pages of publication	6567 - 6572
a	7.7413 ± 0.0014 Å
b	10.5757 ± 0.0019 Å
c	25.507 ± 0.005 Å
α	90°
β	98.727 ± 0.005°
γ	90°
Cell volume	2064.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276602 (current)	2022-07-06	cif/ Updating files of 1566996, 1566997 Original log message: Adding full bibliography for 1566996--1566997.cif.	1566997.cif
275557	2022-05-20	cif/ Adding structures of 1566996, 1566997 via cif-deposit CGI script.	1566997.cif