Crystallography Open Database

Information card for entry 4509362

Preview

Coordinates	4509362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 F4 O4
Calculated formula	C28 H18 F4 O4
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	7.3749 ± 0.0006 Å
b	9.8402 ± 0.0007 Å
c	15.273 ± 0.0012 Å
α	98.118 ± 0.001°
β	98.965 ± 0.001°
γ	102.064 ± 0.001°
Cell volume	1053.18 ± 0.14 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4509362.cif
97237	2014-01-29	cif/ Adding structures of 4509362, 4509363, 4509364, 4509365 via cif-deposit CGI script.	4509362.cif