Crystallography Open Database

Information card for entry 2311644

Preview

Coordinates	2311644.cif
Original IUCr paper	HTML

Structure parameters

Common name	NF adipate
Formula	C44 H56 F2 N6 O14
Calculated formula	C44 H56 F2 N6 O14
SMILES	[O-]C(=O)CCCCC(=O)[O-].OC(=O)CCCCC(=O)O.O=C(O)C1=CN(c2c(C1=O)cc(F)c(N1CC[NH2+]CC1)c2)CC.OC(=O)C1C(=O)c2cc(F)c(N3CC[NH2+]CC3)cc2N(C=1)CC
Title of publication	Supramolecular structures and physicochemical properties of norfloxacin salts.
Authors of publication	Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2014
Journal volume	70
Journal issue	Pt 4
Pages of publication	750 - 760
a	9.4994 ± 0.0003 Å
b	14.3694 ± 0.0004 Å
c	18.1458 ± 0.0005 Å
α	103.853 ± 0.001°
β	96.528 ± 0.001°
γ	106.946 ± 0.002°
Cell volume	2255.11 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0715
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
246069 (current)	2019-12-26	cif/ Adding structures of 2311644, 2311645, 2311646, 2311647, 2311648, 2311649, 2311650 via cif-deposit CGI script.	2311644.cif