Crystallography Open Database

Information card for entry 4506811

Preview

Coordinates	4506811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 N4 O13
Calculated formula	C36 H38 N4 O13
Title of publication	Polymorphs and Cocrystals of Nalidixic Acid
Authors of publication	Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4963
a	33.756 ± 0.005 Å
b	7.189 ± 0.0011 Å
c	14.479 ± 0.002 Å
α	90°
β	106.874 ± 0.016°
γ	90°
Cell volume	3362.4 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179604 (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 4/50/68.	4506811.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506811.cif
71828	2013-01-21	cif/ Adding structures of 4506811 via cif-deposit CGI script.	4506811.cif