Crystallography Open Database

Information card for entry 8000144

Preview

Coordinates	8000144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 N O2
Calculated formula	C23 H28 N O2
SMILES	O=n1cccc2ccccc12.Oc1ccc(C(CC(C)(C)C)(C)C)cc1
Title of publication	Complexation of Some Phenol Hosts with Quinoline N-Oxide and the Structural Studies of Their Complexes by X-ray Crystallography
Authors of publication	Hatano, Bunpei; Aikawa, Akiko; Katagiri, Hiroshi; Tagaya, Hideyuki; Takahashi, Hiroki
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	10
Pages of publication	1272
a	8.3731 ± 0.0007 Å
b	9.641 ± 0.001 Å
c	13.283 ± 0.002 Å
α	71.783 ± 0.006°
β	79.461 ± 0.008°
γ	83.485 ± 0.007°
Cell volume	999.5 ± 0.2 Å³
Cell temperature	296.1 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 significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.344
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000144.cif
94291	2014-01-22	cif/ Adding structures of 8000144 via cif-deposit CGI script.	8000144.cif