Crystallography Open Database

Information card for entry 7150931

Preview

Coordinates	7150931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 N3 O2
Calculated formula	C35 H31 N3 O2
Title of publication	Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues
Authors of publication	Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	15
Pages of publication	2755 - 2764
a	11.6696 ± 0.0003 Å
b	13.9357 ± 0.0003 Å
c	17.5533 ± 0.0003 Å
α	101.922 ± 0.0013°
β	98.0811 ± 0.0013°
γ	95.1456 ± 0.001°
Cell volume	2744.43 ± 0.11 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 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 all reflections	0.0932
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180295 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09.	7150931.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150931.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150931.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150931.cif