Crystallography Open Database

Information card for entry 4107554

Preview

Coordinates	4107554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 O7
Calculated formula	C27 H38 O7
SMILES	[C@@]12(CC[C@@](C(=O)O2)(C1(C)C)C)C(=O)O[C@H]([C@H](C)OCc1ccc(cc1)OC)C(=O)CC(C)(C)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	6.1938 ± 0.0008 Å
b	10.7636 ± 0.0014 Å
c	19.644 ± 0.003 Å
α	90°
β	91.99 ± 0.003°
γ	90°
Cell volume	1308.8 ± 0.3 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	0.0556
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	0.769
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.	4107554.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107554.cif
55240	2012-05-04	cif/ Adding structures of 4107554 via cif-deposit CGI script.	4107554.cif