Crystallography Open Database

Information card for entry 1506653

Preview

Coordinates	1506653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(4-methoxy-2,6-dimethyl-phenyl)-3,5-dimethyl-pyridin-1-ol
Formula	C16 H19 N O2
Calculated formula	C16 H19 N O2
SMILES	O=n1cc(c(c(c1)C)c1c(cc(OC)cc1C)C)C
Title of publication	Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.
Authors of publication	Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	17
Pages of publication	3721 - 3724
a	21.018 ± 0.006 Å
b	8.137 ± 0.003 Å
c	18.221 ± 0.004 Å
α	90°
β	119.049 ± 0.012°
γ	90°
Cell volume	2724.2 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0653
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
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.	1506653.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506653.cif
50477	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506653, 1506654, 1506655, 1506656, 1506657, 1506658 via cif-deposit CGI script.	1506653.cif