Crystallography Open Database

Information card for entry 4109081

Preview

Coordinates	4109081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O7
Calculated formula	C29 H38 O7
SMILES	O=C1O[C@@H](C[C@H](O)C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(=CC=CC=CC=Cc2c1c(O)ccc2)C)C
Title of publication	Total Synthesis of Marinomycins A-C and of Their Monomeric Counterparts Monomarinomycin A and iso-Monomarinomycin A
Authors of publication	K. C. Nicolaou; Andrea L. Nold; Robert R. Milburn; Corinna S. Schindler; Kevin P. Cole; Junichiro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1760 - 1768
a	36.257 ± 0.007 Å
b	8.2518 ± 0.0017 Å
c	21.011 ± 0.004 Å
α	90°
β	117.31 ± 0.03°
γ	90°
Cell volume	5586 ± 2 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178836 (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 4/10/90.	4109081.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109081.cif
57833	2012-05-22	cif/ Adding structures of 4109081 via cif-deposit CGI script.	4109081.cif