Crystallography Open Database

Information card for entry 7220393

7220392 << 7220393 >> 7220394

Preview

Coordinates	7220393.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	felodipine:acetophenone (1:1)
Formula	C26 H27 Cl2 N O5
Calculated formula	C26 H27 Cl2 N O5
SMILES	Clc1cccc([C@@H]2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.O=C(C)c1ccccc1
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	7.394 ± 0.0007 Å
b	11.4991 ± 0.001 Å
c	29.003 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2466 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7220393.cif
135846	2015-05-09	cif/ Adding structures of 7220392, 7220393, 7220394 via cif-deposit CGI script.	7220393.cif