Crystallography Open Database

Information card for entry 7159422

Preview

Coordinates	7159422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N O2 S2
Calculated formula	C18 H23 N O2 S2
Title of publication	Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.
Authors of publication	Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	28
Pages of publication	5827 - 5839
a	11.215 ± 0.0012 Å
b	29.247 ± 0.003 Å
c	5.8198 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1908.9 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0857
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285503 (current)	2023-08-05	cif/ Updating files of 7159420, 7159421, 7159422, 7159423, 7159424, 7159425, 7159426, 7159427, 7159428, 7159429, 7159430, 7159431, 7159432, 7159433, 7159434, 7159435, 7159436 Original log message: Adding full bibliography for 7159420--7159436.cif.	7159422.cif
284662	2023-06-29	cif/ Adding structures of 7159420, 7159421, 7159422, 7159423, 7159424, 7159425, 7159426, 7159427, 7159428, 7159429, 7159430, 7159431, 7159432, 7159433, 7159434, 7159435, 7159436 via cif-deposit CGI script.	7159422.cif