Crystallography Open Database

Information card for entry 7003494

Preview

Coordinates	7003494.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3,3-(butylenedioxy)-2,2-bipyridine methanol solvate
Chemical name	3,3-(butylenedioxy)-2,2-bipyridine methanol solvate
Formula	C15 H18 N2 O3
Calculated formula	C15 H14 N2 O3
Title of publication	New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction
Authors of publication	Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	16
Pages of publication	2171 - 2182
a	10.78 ± 0.003 Å
b	14.567 ± 0.004 Å
c	8.764 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1376.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
179738 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/34.	7003494.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003494.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003494.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.	7003494.cif