Crystallography Open Database

Information card for entry 1568654

Preview

Coordinates	1568654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 F6 N O S
Calculated formula	C15 H11 F6 N O S
Title of publication	Novel N(SCF<sub>3</sub>)(CF<sub>3</sub>)-amines: synthesis, scalability and stability.
Authors of publication	Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	14
Pages of publication	3893 - 3898
a	6.173 ± 0.004 Å
b	7.53 ± 0.004 Å
c	17.45 ± 0.01 Å
α	99.942 ± 0.015°
β	93.614 ± 0.016°
γ	95.649 ± 0.016°
Cell volume	792.4 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1681
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283171 (current)	2023-05-05	cif/ Updating files of 1568654 Original log message: Adding full bibliography for 1568654.cif.	1568654.cif
281850	2023-03-14	cif/ Adding structures of 1568654 via cif-deposit CGI script.	1568654.cif