Crystallography Open Database

Information card for entry 7207513

7207512 << 7207513 >> 7207514

Preview

Coordinates	7207513.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Enoxacin
Formula	C15 H20.44 F N4 O4.72
Calculated formula	C15 H20.4366 F N4 O4.7183
Title of publication	Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements
Authors of publication	Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	2520
a	8.4124 ± 0.0006 Å
b	22.0645 ± 0.0015 Å
c	17.1587 ± 0.0012 Å
α	90°
β	100.896 ± 0.001°
γ	90°
Cell volume	3127.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0778
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for all reflections included in the refinement	0.0172
Goodness-of-fit parameter for all reflections included in the refinement	2.7767
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
180406 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75.	7207513.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207513.cif
52016	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207510, 7207511, 7207512, 7207513, 7207514 via cif-deposit CGI script.	7207513.cif