Crystallography Open Database

Information card for entry 4503800

Preview

Coordinates	4503800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 F2 N6 O8.5
Calculated formula	C32 H41 F2 N6 O8.5
Title of publication	Crystal Structures of Norfloxacin Hydrates
Authors of publication	Roy, Saikat; Goud, N. Rajesh; Babu, N. Jagadeesh; Iqbal, Javed; Kruthiventi, Anil K.; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	12
Pages of publication	4343
a	17.5341 ± 0.0011 Å
b	8.9942 ± 0.0006 Å
c	19.9186 ± 0.0013 Å
α	90°
β	90.411 ± 0.001°
γ	90°
Cell volume	3141.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503800.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503800.cif
41773	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503800 via cif-deposit CGI script.	4503800.cif