Crystallography Open Database

Information card for entry 2311650

Preview

Coordinates	2311650.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NF p-OH-benzoate
Formula	C23 H26 F N3 O7
Calculated formula	C23 H26 F N3 O7
SMILES	Fc1c(N2CC[NH2+]CC2)cc2N(CC)C=C(C(=O)c2c1)C(=O)O.O.O=C([O-])c1ccc(O)cc1
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	7.3258 ± 0.0002 Å
b	19.8297 ± 0.0004 Å
c	23.9108 ± 0.0005 Å
α	96.924 ± 0.001°
β	97.21 ± 0.001°
γ	96.143 ± 0.001°
Cell volume	3394.48 ± 0.14 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	0.1322
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	2311650.cif