Crystallography Open Database

Information card for entry 4513876

Preview

Coordinates	4513876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H73 N O11
Calculated formula	C43 H73 N O11
SMILES	CN(O)C(=O)[C@@H]([C@@H]1O[C@H]([C@H](CC1)C)[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]1O[C@@]2(O[C@]3(O[C@@](CC3)([C@@H]3O[C@H]([C@](O)(CC3)CC)C)C)[C@H](O)C=C2)[C@@H](C[C@@H]1C)C)CC)C)C)CC
Title of publication	Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.
Authors of publication	Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel
Journal of publication	ACS medicinal chemistry letters
Year of publication	2016
Journal volume	7
Journal issue	6
Pages of publication	635 - 640
a	10.5145 ± 0.0005 Å
b	17.8712 ± 0.0006 Å
c	12.8433 ± 0.0007 Å
α	90°
β	114.07 ± 0.007°
γ	90°
Cell volume	2203.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
184926 (current)	2016-08-05	cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif.	4513876.cif
183563	2016-06-17	cif/ Updating files of 4513874, 4513875, 4513876 Original log message: Adding full bibliography for 4513874--4513876.cif.	4513876.cif
182403	2016-04-30	cif/ Adding structures of 4513874, 4513875, 4513876 via cif-deposit CGI script.	4513876.cif