Crystallography Open Database

Information card for entry 1515410

Preview

Coordinates	1515410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 N2 O S
Calculated formula	C12 H10 N2 O S
SMILES	s1c(N2C(=O)Nc3c2cccc3)ccc1C
Title of publication	Development of a simple and stability-indicating RP-HPLC method for determining olanzapine and related impurities generated in the preparative process.
Authors of publication	Cui, Daoping; Li, Yueqing; Lian, Mingming; Yang, Feng; Meng, Qingwei
Journal of publication	The Analyst
Year of publication	2011
Journal volume	136
Journal issue	15
Pages of publication	3149 - 3156
a	20.459 ± 0.011 Å
b	9.635 ± 0.005 Å
c	23.657 ± 0.012 Å
α	90°
β	111.067 ± 0.006°
γ	90°
Cell volume	4352 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515410.cif
111771	2014-04-28	cif/ Adding structures of 1515410 via cif-deposit CGI script.	1515410.cif