Crystallography Open Database

Information card for entry 4509173

Preview

Coordinates	4509173.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	felodipine
Chemical name	ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro -2,6-dimethyl-3,5-pyridinedicarboxylate
Formula	C72 H76 Cl8 N4 O16
Calculated formula	C72 H75 Cl8 N4 O16
Title of publication	Polymorph Control of Felodipine Form II in an Attempted Cocrystallization
Authors of publication	Lou, Benyong; Velaga, Sitaram P.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1254
a	32.392 ± 0.007 Å
b	18.717 ± 0.004 Å
c	23.711 ± 0.005 Å
α	90°
β	91 ± 0.03°
γ	90°
Cell volume	14373 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2611
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4509173.cif
97158	2014-01-29	cif/ Adding structures of 4509173 via cif-deposit CGI script.	4509173.cif