Crystallography Open Database

Information card for entry 4104749

Preview

Coordinates	4104749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 Cl N2 O8
Calculated formula	C27.265 H29 Cl0.95 N2.02 O8.07
Title of publication	Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof
Authors of publication	K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10587 - 10597
a	28.0108 ± 0.001 Å
b	12.6124 ± 0.0002 Å
c	18.5089 ± 0.0006 Å
α	90°
β	125.62 ± 0.0011°
γ	90°
Cell volume	5315.5 ± 0.3 Å³
Cell temperature	80.1 K
Ambient diffraction temperature	80 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	3.837
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178793 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/47.	4104749.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104749.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104749.cif
29779	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104749 via cif-deposit CGI script.	4104749.cif