Crystallography Open Database

Information card for entry 7159434

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Coordinates	7159434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 N O3 S2
Calculated formula	C18 H25 N O3 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	14.1201 ± 0.0003 Å
b	14.1201 ± 0.0003 Å
c	19.4225 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	3353.6 ± 0.14 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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