Crystallography Open Database

Information card for entry 4509365

Preview

Coordinates	4509365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 F2 O3.5
Calculated formula	C25 H18 F2 O3.5
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	19.248 ± 0.003 Å
b	7.2482 ± 0.0013 Å
c	13.798 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1925 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0583
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509365.cif
97237	2014-01-29	cif/ Adding structures of 4509362, 4509363, 4509364, 4509365 via cif-deposit CGI script.	4509365.cif