Crystallography Open Database

Information card for entry 4107555

Preview

Coordinates	4107555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 O3
Calculated formula	C19 H22 O3
SMILES	C(c1ccccc1)OC[C@H]([C@H](C(=O)Cc1ccccc1)O)C
Title of publication	Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis
Authors of publication	Hongmei Li; Patrick J. Carroll; Patrick J. Walsh
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3521 - 3531
a	8.7021 ± 0.0015 Å
b	9.4331 ± 0.0015 Å
c	10.3597 ± 0.0018 Å
α	90°
β	105.999 ± 0.004°
γ	90°
Cell volume	817.5 ± 0.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	0.859
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107555.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107555.cif
55241	2012-05-04	cif/ Adding structures of 4107555 via cif-deposit CGI script.	4107555.cif