Crystallography Open Database

Information card for entry 1568087

Preview

Coordinates	1568087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 Au N O2 P
Calculated formula	C33 H29 Au N O2 P
SMILES	[Au](OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Authors of publication	Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	557 - 565
a	8.686 ± 0.0018 Å
b	10.558 ± 0.002 Å
c	15.503 ± 0.003 Å
α	80.834 ± 0.003°
β	74.403 ± 0.004°
γ	89.873 ± 0.004°
Cell volume	1350.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
281399 (current)	2023-03-04	cif/ Updating files of 1568086, 1568087, 1568088, 1568089, 1568090, 1568091, 1568092, 1568093 Original log message: Adding full bibliography for 1568086--1568093.cif.	1568087.cif
279838	2022-12-13	cif/ Adding structures of 1568086, 1568087, 1568088, 1568089, 1568090, 1568091, 1568092, 1568093 via cif-deposit CGI script.	1568087.cif