Crystallography Open Database

Information card for entry 7060087

Preview

Coordinates	7060087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H43 K N2 O4
Calculated formula	C38 H43 K N2 O4
Title of publication	Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro
Authors of publication	Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	1
Pages of publication	45 - 52
a	10.3951 ± 0.001 Å
b	10.6836 ± 0.0012 Å
c	17.2357 ± 0.0019 Å
α	72.414 ± 0.005°
β	77.519 ± 0.005°
γ	88.313 ± 0.005°
Cell volume	1780.2 ± 0.3 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	0.138
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
261724 (current)	2021-02-05	cif/ Updating files of 7060085, 7060086, 7060087, 7060088 Original log message: Adding full bibliography for 7060085--7060088.cif.	7060087.cif
259421	2020-12-02	cif/ Adding structures of 7060085, 7060086, 7060087, 7060088 via cif-deposit CGI script.	7060087.cif