Crystallography Open Database

Information card for entry 2311684

Preview

Coordinates	2311684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 F2 N5 O12
Calculated formula	C30 H35 F2 N5 O12
SMILES	C1C(C)[NH2+]CCN1c1c(c2c(cc1F)C(=O)C(=CN2CC)C(=O)O)F.c1(cc(ccc1)C(=O)O)C(=O)O.C1(=O)NC([O-])=CC(=O)N1.CO.O
Title of publication	From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.
Authors of publication	Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2015
Journal volume	71
Journal issue	Pt 4
Pages of publication	437 - 446
a	10.032 ± 0.004 Å
b	12.123 ± 0.005 Å
c	14.336 ± 0.006 Å
α	86.396 ± 0.012°
β	71.375 ± 0.011°
γ	74.221 ± 0.012°
Cell volume	1589.4 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1993
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2162
Weighted residual factors for all reflections included in the refinement	0.292
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
246081 (current)	2019-12-26	cif/ Adding structures of 2311682, 2311683, 2311684 via cif-deposit CGI script.	2311684.cif