Crystallography Open Database

Information card for entry 7239811

Preview

Coordinates	7239811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N6 O2 S
Calculated formula	C22 H24 N6 O2 S
Title of publication	Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine
Authors of publication	Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	6
Pages of publication	1120 - 1130
a	9.1672 ± 0.0004 Å
b	9.2117 ± 0.0005 Å
c	14.89 ± 0.0008 Å
α	86.026 ± 0.003°
β	72.591 ± 0.002°
γ	65.538 ± 0.002°
Cell volume	1089.94 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0538
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
257473 (current)	2020-10-06	cif/ Updating files of 7239811, 7239812, 7239813, 7239814 Original log message: Adding full bibliography for 7239811--7239814.cif.	7239811.cif
248902	2020-03-05	cif/ Updating files of 7239811, 7239812, 7239813, 7239814 Original log message: Adding full bibliography for 7239811--7239814.cif.	7239811.cif
247174	2020-01-24	cif/ Adding structures of 7239811, 7239812, 7239813, 7239814 via cif-deposit CGI script.	7239811.cif