Crystallography Open Database

Information card for entry 1506698

Preview

Coordinates	1506698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 O3
Calculated formula	C15 H20 O3
SMILES	C1(=O)OCC[C@](O)(C)[C@H]1CCCc1ccccc1.C1(=O)OCC[C@@](O)(C)[C@@H]1CCCc1ccccc1
Title of publication	Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.
Authors of publication	Lam, Hon Wai; Joensuu, Pekka M.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	19
Pages of publication	4225 - 4228
a	9.0996 ± 0.0007 Å
b	11.5389 ± 0.0008 Å
c	25.785 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2707.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for all reflections	0.1168
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	0.7612
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.	1506698.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506698.cif
50515	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506698, 1506699, 1506700 via cif-deposit CGI script.	1506698.cif