Crystallography Open Database

Information card for entry 7160084

Preview

Coordinates	7160084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 N2 O6 S4
Calculated formula	C40 H42 N2 O6 S4
Title of publication	Rhodium-catalyzed intramolecular cyclization for synthesizing thiodihydropyrans.
Authors of publication	Wang, Yunxiao; Xu, Ze-Feng; Chen, Jing; Yu, Mingming; Guo, Sheng-Rong; Li, Chuan-Ying
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	33
Pages of publication	6695 - 6698
a	8.111 ± 0.003 Å
b	11.691 ± 0.004 Å
c	20.374 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1932 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0998
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
294626 (current)	2024-09-06	cif/ Updating files of 7160084 Original log message: Adding full bibliography for 7160084.cif.	7160084.cif
293632	2024-08-02	cif/ Adding structures of 7160084 via cif-deposit CGI script.	7160084.cif