Crystallography Open Database

Information card for entry 4509364

Preview

Coordinates	4509364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 F2 O3
Calculated formula	C25 H18 F2 O3
Title of publication	Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex
Authors of publication	Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2393
a	19.653 ± 0.003 Å
b	7.1965 ± 0.0012 Å
c	13.694 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1936.8 ± 0.5 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.752
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
179629 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/93.	4509364.cif
97237	2014-01-29	cif/ Adding structures of 4509362, 4509363, 4509364, 4509365 via cif-deposit CGI script.	4509364.cif