Crystallography Open Database

Information card for entry 4324467

Preview

Coordinates	4324467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 F5 N2 O3 P
Calculated formula	C16 H20 F5 N2 O3 P
Title of publication	Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids
Authors of publication	Adil I. Hosein; Xavier F. Le Goff; Louis Ricard; Andrew J. M. Caffyn
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1484 - 1490
a	12.922 ± 0.001 Å
b	21.573 ± 0.001 Å
c	6.666 ± 0.001 Å
α	90°
β	91.285 ± 0.001°
γ	90°
Cell volume	1857.8 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324467.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324467.cif
41175	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324467 via cif-deposit CGI script.	4324467.cif