Crystallography Open Database

Information card for entry 4508047

Preview

Coordinates	4508047.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Olanzapine acetone monohydrate
Formula	C18.5 H25 N4 O1.5 S
Calculated formula	C18.5 H25 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	24.628 ± 0.003 Å
b	12.5833 ± 0.0015 Å
c	15.2002 ± 0.0018 Å
α	90°
β	125.803 ± 0.002°
γ	90°
Cell volume	3820.4 ± 0.8 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	0.0595
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4508047.cif
87789	2013-08-27	cif/ Adding structures of 4508047 via cif-deposit CGI script.	4508047.cif