Crystallography Open Database

Information card for entry 4110267

Preview

Coordinates	4110267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 O4
Calculated formula	C28 H29.3333 O5.33333
Title of publication	Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate
Authors of publication	Ryo Shintani; Soyoung Park; Tamio Hayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14866 - 14867
a	24.204 ± 0.011 Å
b	11.794 ± 0.005 Å
c	16.099 ± 0.007 Å
α	90°
β	131.987 ± 0.016°
γ	90°
Cell volume	3416 ± 3 Å³
Cell temperature	123.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4110267.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110267.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110267.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110267.cif