Crystallography Open Database

Information card for entry 4507625

Preview

Coordinates	4507625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 F N3 O7
Calculated formula	C23 H28 F N3 O7
Title of publication	Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability
Authors of publication	Karanam, Maheswararao; Choudhury, Angshuman Roy
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1626
a	7.0383 ± 0.0019 Å
b	13.397 ± 0.004 Å
c	13.513 ± 0.004 Å
α	119.633 ± 0.008°
β	90.036 ± 0.009°
γ	101.663 ± 0.01°
Cell volume	1077.1 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1525
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179612 (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 4/50/76.	4507625.cif
85592	2013-05-07	cif/ Adding structures of 4507625 via cif-deposit CGI script.	4507625.cif