Crystallography Open Database

Information card for entry 4109257

Preview

Coordinates	4109257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H25 O10.17
Calculated formula	C32.5 H25 O10.1667
Title of publication	Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin
Authors of publication	K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4001 - 4013
a	10.56 ± 0.002 Å
b	17.366 ± 0.004 Å
c	22.721 ± 0.005 Å
α	90°
β	92.79 ± 0.03°
γ	90°
Cell volume	4161.8 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109257.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109257.cif
58021	2012-05-23	cif/ Adding structures of 4109257 via cif-deposit CGI script.	4109257.cif