Crystallography Open Database

Information card for entry 7058806

Preview

Coordinates	7058806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 O4 P2 S3
Calculated formula	C18 H22 O4 P2 S3
Title of publication	Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
Authors of publication	Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	38
Pages of publication	15413
a	8.7882 ± 0.0011 Å
b	8.8878 ± 0.001 Å
c	14.12 ± 0.002 Å
α	73.295 ± 0.011°
β	75.044 ± 0.011°
γ	81.888 ± 0.009°
Cell volume	1017.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
224987 (current)	2019-11-08	cif/ Updating files of 7058796, 7058797, 7058798, 7058799, 7058800, 7058801, 7058802, 7058803, 7058804, 7058805, 7058806, 7058807 Original log message: Adding full bibliography for 7058796--7058807.cif.	7058806.cif
217889	2019-08-31	cif/ Adding structures of 7058796, 7058797, 7058798, 7058799, 7058800, 7058801, 7058802, 7058803, 7058804, 7058805, 7058806, 7058807 via cif-deposit CGI script.	7058806.cif