Crystallography Open Database

Information card for entry 1557146

Preview

Coordinates	1557146.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
Formula	C21 H30 F6 N O P
Calculated formula	C21 F6 N O P
SMILES	c1(N=POC(C(F)(F)F)C(F)(F)F)c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
Title of publication	Crystal Structure of 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine
Authors of publication	Potschke, Norbert; Nieger, Martin; Niecke, Edgar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	337 - 339
a	6.007 ± 0.001 Å
b	14.899 ± 0.001 Å
c	13.269 ± 0.001 Å
α	90°
β	92.21 ± 0.01°
γ	90°
Cell volume	1186.7 ± 0.2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247186 (current)	2020-01-24	cif/ Adding structures of 1557146 via cif-deposit CGI script.	1557146.cif