Crystallography Open Database

Information card for entry 1504576

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Structure parameters

Formula	C18 H26 O4
Calculated formula	C18 H26 O4
SMILES	O1C[C@]23[C@]45[C@H](C[C@H](C(=O)CC4)[C@@]15OC)C[C@H](O)[C@]2(C)CCC3.O1C[C@@]23[C@@]45[C@@H](C[C@@H](C(=O)CC4)[C@]15OC)C[C@@H](O)[C@@]2(C)CCC3
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	7.056 ± 0.005 Å
b	9.481 ± 0.005 Å
c	12.731 ± 0.005 Å
α	101.717 ± 0.005°
β	99.034 ± 0.005°
γ	107.867 ± 0.005°
Cell volume	771.4 ± 0.7 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	0.0705
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504576.cif
176729	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.	1504576.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504576.cif
42189	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504576 via cif-deposit CGI script.	1504576.cif