Crystallography Open Database

Information card for entry 1503292

Preview

Coordinates	1503292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 N2
Calculated formula	C25 H18 N2
SMILES	n1(c2ccccc2c(c1c1ccccc1)c1ccccc1)c1ncccc1
Title of publication	Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.
Authors of publication	Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	23
Pages of publication	5426 - 5429
a	13.3316 ± 0.0015 Å
b	13.1483 ± 0.0014 Å
c	11.2928 ± 0.0013 Å
α	90°
β	112.91 ± 0.002°
γ	90°
Cell volume	1823.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	1503292.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503292.cif
37167	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503292 via cif-deposit CGI script.	1503292.cif