Crystallography Open Database

Information card for entry 4107569

Preview

Coordinates	4107569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl N O4
Calculated formula	C26 H20 Cl N O4
Title of publication	Synthesis of Programmable Tetra-ortho-Substituted Biaryl Compounds Using Diels-Alder Cycloadditions/Cycloreversions of Disubstituted Alkynyl Stannanes
Authors of publication	Johanna R. Perkins; Rich G. Carter
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3290 - 3291
a	8.0105 ± 0.0007 Å
b	10.8432 ± 0.0009 Å
c	13.9873 ± 0.0012 Å
α	108.915 ± 0.001°
β	97.109 ± 0.001°
γ	101.647 ± 0.001°
Cell volume	1101.94 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	4107569.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107569.cif
55255	2012-05-04	cif/ Adding structures of 4107569 via cif-deposit CGI script.	4107569.cif