Crystallography Open Database

Information card for entry 7220392

7220391 << 7220392 >> 7220393

Preview

Coordinates	7220392.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	felodipine:acetone (1:1)
Chemical name	felodipine:acetone (1:1)
Formula	C21 H25 Cl2 N O5
Calculated formula	C21 H25 Cl2 N O5
SMILES	Clc1c(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)cccc1Cl.O=C(C)C
Title of publication	Diversity of felodipine solvates: structure and physicochemical properties
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	2015
Journal volume	17
Journal issue	22
Pages of publication	4089
a	9.1774 ± 0.0008 Å
b	16.6983 ± 0.0015 Å
c	14.3375 ± 0.0011 Å
α	90°
β	105.865 ± 0.004°
γ	90°
Cell volume	2113.5 ± 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	0.0587
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
138522 (current)	2015-06-07	cif/ Updating files of 7220392, 7220393, 7220394 Original log message: Adding full bibliography for 7220392--7220394.cif.	7220392.cif
135846	2015-05-09	cif/ Adding structures of 7220392, 7220393, 7220394 via cif-deposit CGI script.	7220392.cif