Crystallography Open Database

Information card for entry 1504190

Preview

Coordinates	1504190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 O4
Calculated formula	C19 H22 O4
SMILES	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@@]3(C1=CC(=O)O[C@@H](C1=C2)C(=C)C)C
Title of publication	Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.
Authors of publication	Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4640 - 4643
a	7.7635 ± 0.0001 Å
b	9.7864 ± 0.0002 Å
c	21.0195 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1596.99 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1504190.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504190.cif
39481	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504190 via cif-deposit CGI script.	1504190.cif