Crystallography Open Database

Information card for entry 1504187

Preview

Coordinates	1504187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O5
Calculated formula	C17 H20 O5
SMILES	O=C1O[C@H](OC)C2=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]([C@@H]34)(C2=C1)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	18.1525 ± 0.0004 Å
b	7.6684 ± 0.0002 Å
c	12.0226 ± 0.0002 Å
α	90°
β	101.178 ± 0.001°
γ	90°
Cell volume	1641.81 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1504187.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504187.cif
39478	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504187 via cif-deposit CGI script.	1504187.cif