Crystallography Open Database

Information card for entry 7157709

Preview

Coordinates	7157709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 F3 N O3 S
Calculated formula	C18 H18 F3 N O3 S
Title of publication	A scalable continuous photochemical process for the generation of aminopropylsulfones.
Authors of publication	Bonciolini, Stefano; Di Filippo, Mara; Baumann, Marcus
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	46
Pages of publication	9428 - 9432
a	5.6871 ± 0.0003 Å
b	8.6686 ± 0.0004 Å
c	18.3693 ± 0.0007 Å
α	81.037 ± 0.004°
β	88.297 ± 0.004°
γ	87.959 ± 0.004°
Cell volume	893.7 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0551
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260811 (current)	2021-01-07	cif/ Updating files of 7157709 Original log message: Adding full bibliography for 7157709.cif.	7157709.cif
256556	2020-09-19	cif/ Adding structures of 7157709 via cif-deposit CGI script.	7157709.cif