Crystallography Open Database

Information card for entry 4110679

Preview

Coordinates	4110679.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ethyl(2-furyl)diphenylphosphonium iodide
Formula	C37 H28 I2 O P2
Calculated formula	C37 H28 I2 O P2
Title of publication	Electronic Properties of Furyl Substituents at Phosphorus and Their Influence on 31P NMR Chemical Shifts
Authors of publication	Marco Ackermann; Aurelia Pascariu; Thomas Höcher; Hans-Ullrich Siehl; Stefan Berger
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8434 - 8440
a	10.2558 ± 0.0016 Å
b	12.515 ± 0.002 Å
c	15.051 ± 0.002 Å
α	69.132 ± 0.003°
β	80.813 ± 0.003°
γ	83.241 ± 0.003°
Cell volume	1778.1 ± 0.5 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178877 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06.	4110679.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110679.cif
59496	2012-06-12	cif/ Adding structures of 4110679 via cif-deposit CGI script.	4110679.cif