Crystallography Open Database

Information card for entry 4503659

Preview

Coordinates	4503659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H19 Cl F4 O6
Calculated formula	C33 H19 Cl F4 O6
Title of publication	Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone
Authors of publication	Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3493
a	10.765 ± 0.001 Å
b	11.294 ± 0.001 Å
c	11.778 ± 0.001 Å
α	85.096 ± 0.001°
β	89.78 ± 0.002°
γ	74.205 ± 0.001°
Cell volume	1372.6 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0723
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179571 (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 4/50/36.	4503659.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503659.cif
41690	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503657, 4503658, 4503659, 4503660 via cif-deposit CGI script.	4503659.cif