Crystallography Open Database

Information card for entry 1504578

Preview

Coordinates	1504578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O4
Calculated formula	C18 H26 O4
SMILES	O1C[C@]23[C@@]45[C@@H](C[C@H](O)[C@]2(C)CCC3)C[C@@H]([C@@]14OC)C=C[C@H]5O.O1C[C@@]23[C@]45[C@H](C[C@@H](O)[C@@]2(C)CCC3)C[C@H]([C@]14OC)C=C[C@@H]5O
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	7.321 ± 0.005 Å
b	13.267 ± 0.005 Å
c	16.259 ± 0.005 Å
α	90 ± 0.005°
β	100.517 ± 0.005°
γ	90 ± 0.005°
Cell volume	1552.7 ± 1.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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.	1504578.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504578.cif
42191	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504578 via cif-deposit CGI script.	1504578.cif