Crystallography Open Database

Information card for entry 1505262

Preview

Coordinates	1505262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 N6
Calculated formula	C42 H28 N6
SMILES	c1ccc(nc1)c1cc(cc(n1)c1ccccn1)c1ccc(cc1)c1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Title of publication	Diverse synthesis of novel Bisterpyridines via Suzuki-type cross-coupling.
Authors of publication	Han, Fu She; Higuchi, Masayoshi; Kurth, Dirk G.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	4
Pages of publication	559 - 562
a	28.02 ± 0.0012 Å
b	10.6337 ± 0.0003 Å
c	10.9221 ± 0.0004 Å
α	90°
β	100.33 ± 0.003°
γ	90°
Cell volume	3201.6 ± 0.2 Å³
Cell temperature	110.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505262.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505262.cif
45467	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505262 via cif-deposit CGI script.	1505262.cif