Crystallography Open Database

Information card for entry 4123182

Preview

Coordinates	4123182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 F6 N2 O10 Pd
Calculated formula	C36 H24 F6 N2 O10 Pd
Title of publication	Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).
Authors of publication	Curto, John M.; Kozlowski, Marisa C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	1
Pages of publication	18 - 21
a	17.9656 ± 0.0011 Å
b	9.6793 ± 0.0007 Å
c	21.8956 ± 0.0012 Å
α	90°
β	91.748 ± 0.003°
γ	90°
Cell volume	3805.8 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.2554
Weighted residual factors for all reflections included in the refinement	0.2578
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179033 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/31.	4123182.cif
130676	2015-02-04	cif/ Updating files of 4123182, 4123183 Original log message: Adding full bibliography for 4123182--4123183.cif.	4123182.cif
129170	2014-12-30	cif/ Adding structures of 4123182 via cif-deposit CGI script.	4123182.cif