Crystallography Open Database

Information card for entry 4108202

Preview

Coordinates	4108202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O4
Calculated formula	C16 H18 O4
SMILES	O1C(=O)[C@](O)([C@@](C1)(C)CCOCc1ccccc1)C#C
Title of publication	Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof
Authors of publication	K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11114 - 11121
a	6.3993 ± 0.0009 Å
b	6.3993 ± 0.0009 Å
c	36.513 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1495.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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
178828 (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 4/10/82.	4108202.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108202.cif
56539	2012-05-11	cif/ Adding structures of 4108202 via cif-deposit CGI script.	4108202.cif