Crystallography Open Database

Information card for entry 1504484

Preview

Coordinates	1504484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O3
Calculated formula	C17 H22 O3
SMILES	O(C(=O)C)[C@H]1[C@@](O)(CCCC1)[C@H](c1ccccc1)C=C.O(C(=O)C)[C@@H]1[C@](O)(CCCC1)[C@@H](c1ccccc1)C=C
Title of publication	Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.
Authors of publication	Dunet, Guillaume; Mayer, Peter; Knochel, Paul
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	1
Pages of publication	117 - 120
a	7.5516 ± 0.0002 Å
b	11.5133 ± 0.0003 Å
c	17.1622 ± 0.0005 Å
α	90°
β	98.1398 ± 0.0015°
γ	90°
Cell volume	1477.11 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	1504484.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504484.cif
42103	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504484 via cif-deposit CGI script.	1504484.cif