Crystallography Open Database

Information card for entry 4109681

Preview

Coordinates	4109681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 Cl N O7 P
Calculated formula	C17 H19 Cl N O7 P
Title of publication	Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach
Authors of publication	Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9109 - 9116
a	15.5818 ± 0.0017 Å
b	13.1046 ± 0.0015 Å
c	9.34 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1907.2 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1978
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
178842 (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 4/10/96.	4109681.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109681.cif
58458	2012-05-28	cif/ Adding structures of 4109681 via cif-deposit CGI script.	4109681.cif