Crystallography Open Database

Information card for entry 1518598

Preview

Coordinates	1518598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H26 B F21 P2
Calculated formula	C58 H26 B F21 P2
SMILES	[P+]1(P(F)(c2ccccc2)(c2cccc3cccc1c23)c1ccccc1)(c1ccccc1)c1ccccc1.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
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	8.4256 ± 0.0012 Å
b	21.123 ± 0.003 Å
c	13.804 ± 0.002 Å
α	90°
β	95.055 ± 0.007°
γ	90°
Cell volume	2447.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	1518598.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.	1518598.cif
130150	2015-01-28	cif/ Adding structures of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 via cif-deposit CGI script.	1518598.cif