Crystallography Open Database

Information card for entry 7121037

Preview

Coordinates	7121037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 F6 O3 P S
Calculated formula	C15 H13 F6 O3 P S
Title of publication	Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.
Authors of publication	Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	6
Pages of publication	662 - 665
a	11.4013 ± 0.0006 Å
b	11.4161 ± 0.0006 Å
c	13.9435 ± 0.0007 Å
α	81.712 ± 0.004°
β	76.486 ± 0.004°
γ	89.978 ± 0.004°
Cell volume	1745.14 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0339
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
228247 (current)	2019-11-17	cif/ Updating files of 7121036, 7121037, 7121038 Original log message: Adding full bibliography for 7121036--7121038.cif.	7121037.cif
204465	2017-12-22	cif/ Adding structures of 7121036, 7121037, 7121038 via cif-deposit CGI script.	7121037.cif