Crystallography Open Database

Information card for entry 1504577

Preview

Coordinates	1504577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O4
Calculated formula	C18 H26 O4
SMILES	O([C@@]12OC[C@@]34[C@]([C@@H](O)C[C@H]5[C@]14CCC(=O)[C@@H]2C5)(C)CCC3)C.O([C@]12OC[C@]34[C@@]([C@H](O)C[C@@H]5[C@@]14CCC(=O)[C@H]2C5)(C)CCC3)C
Title of publication	An approach to the core skeleton of lancifodilactone F.
Authors of publication	Wang, Qiaoling; Chen, Chuo
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	6
Pages of publication	1223 - 1226
a	9.835 ± 0.003 Å
b	13.049 ± 0.003 Å
c	13.934 ± 0.007 Å
α	103.045 ± 0.007°
β	102.745 ± 0.01°
γ	108.223 ± 0.016°
Cell volume	1570.7 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
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.	1504577.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504577.cif
42190	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504577 via cif-deposit CGI script.	1504577.cif