Crystallography Open Database

Information card for entry 7157501

Preview

Coordinates	7157501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 F N O4 S
Calculated formula	C8 H12 F N O4 S
Title of publication	Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.
Authors of publication	Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	21
Pages of publication	4019 - 4023
a	6.9928 ± 0.0005 Å
b	7.7011 ± 0.0006 Å
c	10.3093 ± 0.0009 Å
α	79.651 ± 0.001°
β	81.793 ± 0.002°
γ	80.005 ± 0.001°
Cell volume	534.28 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
252931 (current)	2020-06-05	cif/ Updating files of 7157501 Original log message: Adding full bibliography for 7157501.cif.	7157501.cif
252014	2020-05-13	cif/ Adding structures of 7157501 via cif-deposit CGI script.	7157501.cif