Crystallography Open Database

Information card for entry 7157534

Preview

Coordinates	7157534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H56 Cl N3 O14 S
Calculated formula	C59 H56 Cl N3 O14 S
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	5.2366 ± 0.0001 Å
b	35.3229 ± 0.0003 Å
c	14.5684 ± 0.0001 Å
α	90°
β	95.522 ± 0.001°
γ	90°
Cell volume	2682.24 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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