Crystallography Open Database

Information card for entry 1506939

Preview

Coordinates	1506939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Cl O4
Calculated formula	C19 H23 Cl O4
SMILES	[C@H]1(CC[C@@H]2[C@H]1CC[C@@H]2C(C(=O)OC)C(=O)OC)c1ccc(Cl)cc1.[C@@H]1(CC[C@H]2[C@@H]1CC[C@H]2C(C(=O)OC)C(=O)OC)c1ccc(Cl)cc1
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	5.794 ± 0.001 Å
b	7.595 ± 0.002 Å
c	40.65 ± 0.006 Å
α	90°
β	90.91 ± 0.01°
γ	90°
Cell volume	1788.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1506939.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506939.cif
51561	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506939 via cif-deposit CGI script.	1506939.cif