Crystallography Open Database

Information card for entry 4508045

Preview

Coordinates	4508045.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Olanzapine ethanol monohydrate
Formula	C18 H22 N4 O1.5 S
Calculated formula	C18 H22 N4 O1.5 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	24.541 ± 0.007 Å
b	12.459 ± 0.003 Å
c	15.178 ± 0.004 Å
α	90°
β	125.485 ± 0.004°
γ	90°
Cell volume	3778.8 ± 1.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0792
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4508045.cif
87787	2013-08-27	cif/ Adding structures of 4508045 via cif-deposit CGI script.	4508045.cif