Crystallography Open Database

Information card for entry 4105447

Preview

Coordinates	4105447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O2
Calculated formula	C27 H20 O2
Title of publication	Synthesis of Chiroptical Molecular Switches by Pd-Catalyzed Domino Reactions
Authors of publication	Lutz F. Tietze; Alexander Düfert; Florian Lotz; Lars Sölter; Kawon Oum; Thomas Lenzer; Tobias Beck; Regine Herbst-Irmer
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	17879 - 17884
a	34.173 ± 0.005 Å
b	6.704 ± 0.002 Å
c	16.712 ± 0.004 Å
α	90°
β	102.82 ± 0.02°
γ	90°
Cell volume	3733.2 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0349
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178800 (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 4/10/54.	4105447.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105447.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105447.cif
30643	2011-11-14	../uploads/cif-deposit/cod/cif Adding structures of 4105447 via cif-deposit CGI script.	4105447.cif