Crystallography Open Database

Information card for entry 7239229

Preview

Coordinates	7239229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H26 O S2
Calculated formula	C14 H26 O S2
Title of publication	Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives
Authors of publication	Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	44
Pages of publication	21911
a	8.1947 ± 0.0005 Å
b	9.7139 ± 0.0006 Å
c	19.6679 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1565.61 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0274
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	7239229.cif
244608	2019-11-28	cif/ Adding structures of 7239225, 7239226, 7239227, 7239228, 7239229, 7239230 via cif-deposit CGI script.	7239229.cif