Crystallography Open Database

Information card for entry 4507622

Preview

Coordinates	4507622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 F N3 O8
Calculated formula	C23 H32 F N3 O8
SMILES	C(C)[NH+]1CCN(c2c(cc3c(c2)n(cc(C(=O)O)c3=O)C2CC2)F)CC1.C(=O)(C)O.C(=O)(C)[O-].O
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	7.2779 ± 0.0004 Å
b	12.2704 ± 0.0008 Å
c	14.5883 ± 0.0009 Å
α	95.722 ± 0.004°
β	99.508 ± 0.004°
γ	102.931 ± 0.004°
Cell volume	1239.57 ± 0.13 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.103
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	4507622.cif
85589	2013-05-07	cif/ Adding structures of 4507622 via cif-deposit CGI script.	4507622.cif