Crystallography Open Database

Information card for entry 7712120

Preview

Coordinates	7712120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 B F9 O3
Calculated formula	C18 H6 B F9 O3
SMILES	O(c1c(F)cc(cc1F)F)B(Oc1c(F)cc(F)cc1F)Oc1c(F)cc(F)cc1F
Title of publication	Synthesis and lewis acidity of fluorinated triaryl borates.
Authors of publication	Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1820 - 1825
a	11.3358 ± 0.0009 Å
b	13.4129 ± 0.0011 Å
c	13.6547 ± 0.0008 Å
α	69.358 ± 0.006°
β	69.479 ± 0.006°
γ	72.094 ± 0.007°
Cell volume	1779.1 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 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	0.1
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2634
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
283298 (current)	2023-05-05	cif/ Updating files of 7712118, 7712119, 7712120 Original log message: Adding full bibliography for 7712118--7712120.cif.	7712120.cif
280344	2023-01-15	cif/ Adding structures of 7712118, 7712119, 7712120 via cif-deposit CGI script.	7712120.cif