Crystallography Open Database

Information card for entry 7216942

Preview

Coordinates	7216942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H22 F6 O P3
Calculated formula	C11 H22 F6 O P3
SMILES	P123([P+](CCCC1)(CCCC2)CCC3)O.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity
Authors of publication	Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2001
Journal issue	3
Pages of publication	288
a	12.997 ± 0.003 Å
b	15.552 ± 0.002 Å
c	15.809 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3195.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1158
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.783
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
180500 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/69.	7216942.cif
118571	2014-06-30	cif/ Adding structures of 7216942, 7216943, 7216944 via cif-deposit CGI script.	7216942.cif