Crystallography Open Database

Information card for entry 4027143

Preview

Coordinates	4027143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 O6
Calculated formula	C24 H26 O6
Title of publication	Palladium(0)-Catalyzed Allylic Alkylation of Diketoester-Dioxinones with Allyl Acetates under Neutral Conditions: Synthesis of Hexasubstituted Benzene Derivatives
Authors of publication	Jens Cordes; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	3524 - 3530
a	9.784 ± 0.0006 Å
b	10.6861 ± 0.0006 Å
c	11.7857 ± 0.0007 Å
α	63.081 ± 0.006°
β	72.433 ± 0.005°
γ	85.632 ± 0.005°
Cell volume	1044.82 ± 0.13 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178450 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/71.	4027143.cif
81211	2013-04-14	cif/ Adding structures of 4027143 via cif-deposit CGI script.	4027143.cif