Crystallography Open Database

Information card for entry 7153502

Preview

Structure parameters

Formula	C26 H42 O4 Si2
Calculated formula	C26 H42 O4 Si2
Title of publication	Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.
Authors of publication	Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	24
Pages of publication	5490 - 5494
a	10.4066 ± 0.0001 Å
b	20.7845 ± 0.0002 Å
c	26.5729 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5747.61 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153502.cif
180321	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/35.	7153502.cif
93802	2014-01-13	cif/ Adding structures of 7153501, 7153502, 7153503 via cif-deposit CGI script.	7153502.cif