Crystallography Open Database

Information card for entry 1506940

Preview

Coordinates	1506940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O5
Calculated formula	C20 H24 O5
SMILES	O1[C@@H]2[C@H](c3c(C1)cccc3)[C@@H]1[C@H](C2)[C@@H](CC1)C(C(=O)OC)C(=O)OC.O1[C@H]2[C@@H](c3c(C1)cccc3)[C@H]1[C@@H](C2)[C@H](CC1)C(C(=O)OC)C(=O)OC
Title of publication	Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.
Authors of publication	Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	23
Pages of publication	4343 - 4345
a	8.748 ± 0.001 Å
b	9.689 ± 0.001 Å
c	11.773 ± 0.001 Å
α	81.91 ± 0.01°
β	85.5 ± 0.01°
γ	66.42 ± 0.01°
Cell volume	905.18 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0464
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	1506940.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506940.cif
51562	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506940 via cif-deposit CGI script.	1506940.cif