Crystallography Open Database

Information card for entry 7151103

Preview

Coordinates	7151103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N3 O2
Calculated formula	C27 H21 N3 O2
Title of publication	Preparation of new axially chiral bridged 2,2'-bipyridines and pyridyl monooxazolines (pymox). Evaluation in copper(I)-catalyzed enantioselective cyclopropanation.
Authors of publication	Bouet, Alexis; Deguest, Geoffrey; Heller, Barbara; Papamicaël, Cyril; Dupas, Georges; Oudeyer, Sylvain; Marsais, Francis; Levacher, Vincent
Journal of publication	Organic & biomolecular chemistry
Year of publication	2007
Journal volume	5
Journal issue	9
Pages of publication	1397 - 1404
a	10.052 ± 0.002 Å
b	15.052 ± 0.003 Å
c	42.205 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	6386 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180297 (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 7/15/11.	7151103.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151103.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151103.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7151103.cif