Crystallography Open Database

Information card for entry 7157535

Preview

Coordinates	7157535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Cl N3 O14
Calculated formula	C44 H45.9996 Cl N3 O14
Title of publication	Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.
Authors of publication	Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	25
Pages of publication	4728 - 4733
a	8.1104 ± 0.0002 Å
b	19.5548 ± 0.0006 Å
c	27.2321 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4318.9 ± 0.3 Å³
Cell temperature	164 ± 2 K
Ambient diffraction temperature	164 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253981 (current)	2020-07-06	cif/ Updating files of 7157534, 7157535, 7157536 Original log message: Adding full bibliography for 7157534--7157536.cif.	7157535.cif
253031	2020-06-09	cif/ Adding structures of 7157534, 7157535, 7157536 via cif-deposit CGI script.	7157535.cif