Crystallography Open Database

Information card for entry 1518596

Preview

Coordinates	1518596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 F4 P2
Calculated formula	C34 H26 F4 P2
SMILES	c1(cccc2c1c(ccc2)P(c1ccccc1)(c1ccccc1)(F)F)P(c1ccccc1)(c1ccccc1)(F)F
Title of publication	Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines
Authors of publication	Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	3
Pages of publication	2016
a	9.2062 ± 0.0007 Å
b	16.7452 ± 0.0012 Å
c	17.6319 ± 0.0014 Å
α	90°
β	101.286 ± 0.003°
γ	90°
Cell volume	2665.6 ± 0.4 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1251
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518596.cif
133108	2015-03-06	cif/ Updating files of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 Original log message: Adding full bibliography for 1518596--1518603.cif.	1518596.cif
130150	2015-01-28	cif/ Adding structures of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 via cif-deposit CGI script.	1518596.cif