Crystallography Open Database

Information card for entry 4508043

Preview

Coordinates	4508043.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Olanzapinium salicylate benzene
Formula	C33 H35 N4 O3 S
Calculated formula	C33 H35 N4 O3 S
Title of publication	Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties
Authors of publication	Thakuria, Ranjit; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3672
a	9.27 ± 0.004 Å
b	10.539 ± 0.005 Å
c	15.713 ± 0.007 Å
α	102.808 ± 0.007°
β	104.176 ± 0.008°
γ	95.93 ± 0.008°
Cell volume	1431 ± 1.1 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	0.123
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179616 (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 4/50/80.	4508043.cif
87785	2013-08-27	cif/ Adding structures of 4508043 via cif-deposit CGI script.	4508043.cif