Crystallography Open Database

Information card for entry 1503786

Preview

Coordinates	1503786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 O11
Calculated formula	C39 H36 O11
Title of publication	Sn-free Ni-catalyzed reductive coupling of glycosyl bromides with activated alkenes.
Authors of publication	Gong, Hegui; Andrews, R. Stephen; Zuccarello, Joseph L.; Lee, Stephen J.; Gagné, Michel R
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	879 - 882
a	17.0749 ± 0.0005 Å
b	24.0641 ± 0.0006 Å
c	24.8996 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10231 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.1268
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503786.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503786.cif
39076	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503786 via cif-deposit CGI script.	1503786.cif