Crystallography Open Database

Information card for entry 1507033

Preview

Coordinates	1507033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 O4
Calculated formula	C19 H30 O4
SMILES	[C@H]12CC(=O)[C@@H]3CC[C@@H](C)C[C@@]3(O)[C@]1(C)CCC[C@]2(C)C(=O)OC
Title of publication	Studies toward the total synthesis of Wiedemannic acid.
Authors of publication	Sauer, Effiette L. O.; Barriault, Louis
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	19
Pages of publication	3329 - 3332
a	10.9208 ± 0.0019 Å
b	19.911 ± 0.004 Å
c	7.9921 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1737.8 ± 0.6 Å³
Cell temperature	206 ± 2 K
Ambient diffraction temperature	206 ± 2 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	0.0887
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 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.	1507033.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507033.cif
51627	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507033 via cif-deposit CGI script.	1507033.cif