Crystallography Open Database

Information card for entry 4024447

Preview

Coordinates	4024447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl N O
Calculated formula	C24 H18 Cl N O
Title of publication	Novel Regioselectivity: Three-Component Cascade Synthesis of Unsymmetrical 1,4- and 1,2-Dihydropyridines
Authors of publication	Jie-Ping Wan; Shi-Feng Gan; Gong-Lei Sun; Yuan-Jiang Pan
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	2862 - 2865
a	10.75 ± 0.002 Å
b	13.323 ± 0.003 Å
c	13.796 ± 0.003 Å
α	90°
β	101.06 ± 0.03°
γ	90°
Cell volume	1939.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.088
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
178423 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/44.	4024447.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024447.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024447.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024447.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024447.cif