Crystallography Open Database

Information card for entry 1503954

Preview

Coordinates	1503954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N2 O2
Calculated formula	C18 H20 N2 O2
Title of publication	Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.
Authors of publication	Xiao, Jian; Loh, Teck-Peng
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	13
Pages of publication	2876 - 2879
a	20.4836 ± 0.0011 Å
b	4.609 ± 0.0002 Å
c	15.63 ± 0.0009 Å
α	90°
β	97.35 ± 0.002°
γ	90°
Cell volume	1463.49 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503954.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503954.cif
39212	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503954 via cif-deposit CGI script.	1503954.cif