Crystallography Open Database

Information card for entry 1504579

Preview

Coordinates	1504579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 O4
Calculated formula	C21 H32 O4
SMILES	O1C[C@@]23CCC[C@@]2(C)[C@@H](O)C[C@@H]2[C@]43[C@@]1(OC)[C@H](C2)[C@@](O)(CC4)C(=C)C.O1C[C@]23CCC[C@]2(C)[C@H](O)C[C@H]2[C@@]43[C@]1(OC)[C@@H](C2)[C@](O)(CC4)C(=C)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	7.651 ± 0.005 Å
b	12.277 ± 0.004 Å
c	19.937 ± 0.005 Å
α	90 ± 0°
β	90.869 ± 0.015°
γ	90 ± 0°
Cell volume	1872.5 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 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.	1504579.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504579.cif
42192	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504579 via cif-deposit CGI script.	1504579.cif