Crystallography Open Database

Information card for entry 7058807

Preview

Coordinates	7058807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O4 P2 S3
Calculated formula	C16 H18 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	20.284 ± 0.004 Å
b	21.511 ± 0.006 Å
c	8.717 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3803 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7058807.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.	7058807.cif