Crystallography Open Database

Information card for entry 7210317

Preview

Coordinates	7210317.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Felodipine : tetramethylurea (1:1)
Formula	C23 H31 Cl2 N3 O5
Calculated formula	C23 H31 Cl2 N3 O5
SMILES	Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.O=C(N(C)C)N(C)C
Title of publication	Crystal architecture and physicochemical properties of felodipine solvates
Authors of publication	Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	30
Pages of publication	6054
a	16.3261 ± 0.0018 Å
b	11.4866 ± 0.0011 Å
c	14.7468 ± 0.0017 Å
α	90°
β	111.959 ± 0.003°
γ	90°
Cell volume	2564.9 ± 0.5 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.1033
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
180434 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210317.cif
87596	2013-08-27	cif/ Adding structures of 7210315, 7210316, 7210317 via cif-deposit CGI script.	7210317.cif