Crystallography Open Database

Information card for entry 4506482

Preview

Coordinates	4506482.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Felodipine IV
Formula	C18 H19 Cl2 N O4
Calculated formula	C18 H19 Cl2 N O4
SMILES	Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl
Title of publication	Crystallization and Polymorphism of Felodipine
Authors of publication	Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	4022
a	11.1129 ± 0.0009 Å
b	12.5688 ± 0.0011 Å
c	13.4969 ± 0.0011 Å
α	90°
β	107.009 ± 0.004°
γ	90°
Cell volume	1802.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179600 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64.	4506482.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506482.cif
66192	2012-09-09	cif/ Adding structures of 4506481, 4506482 via cif-deposit CGI script.	4506482.cif