Crystallography Open Database

Information card for entry 7153636

Preview

Coordinates	7153636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N4 O6 Pd2
Calculated formula	C15 H14 N2 O3 Pd
Title of publication	Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group.
Authors of publication	Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	9
Pages of publication	1405 - 1411
a	16.5855 ± 0.0003 Å
b	15.6566 ± 0.0003 Å
c	14.3263 ± 0.001 Å
α	90°
β	118.686 ± 0.008°
γ	90°
Cell volume	3263.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.0982
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.3222
Weighted residual factors for all reflections included in the refinement	0.3543
Goodness-of-fit parameter for all reflections included in the refinement	1.751
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180322 (current)	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 7/15/36.	7153636.cif
105749	2014-03-12	cif/ Adding structures of 7153636 via cif-deposit CGI script.	7153636.cif