Crystallography Open Database

Information card for entry 1529303

Preview

Coordinates	1529303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 F7.5 N6 Na0.5 O9
Calculated formula	C26 H26 F7.5 N6 Na0.5 O9
Title of publication	Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions
Authors of publication	Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5984
a	14.0292 ± 0.0011 Å
b	22.3313 ± 0.0016 Å
c	9.5059 ± 0.001 Å
α	90°
β	92.95 ± 0.002°
γ	90°
Cell volume	2974.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1943
Residual factor for significantly intense reflections	0.1119
Weighted residual factors for significantly intense reflections	0.2863
Weighted residual factors for all reflections included in the refinement	0.3458
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529303.cif
170938	2015-12-09	cif/ Updating files of 1529300, 1529301, 1529302, 1529303 Original log message: Adding full bibliography for 1529300--1529303.cif.	1529303.cif
152627	2015-07-30	cif/ Adding structures of 1529300, 1529301, 1529302, 1529303 via cif-deposit CGI script.	1529303.cif