Crystallography Open Database

Information card for entry 7160557

Preview

Coordinates	7160557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 O9 S2
Calculated formula	C16 H24 O9 S2
Title of publication	Photoinitiated Thiol-ene Mediated Functionalization of 4,5-Enoses
Authors of publication	Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; Rabadán González, Inés; Twamley, Brendan; Miller, Gavin John; Scanlan, Eoin M.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	8.5662 ± 0.0003 Å
b	11.8991 ± 0.0004 Å
c	19.6088 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1998.73 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0329
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299717 (current)	2025-05-17	cif/ Adding structures of 7160555, 7160556, 7160557, 7160558 via cif-deposit CGI script.	7160557.cif