Crystallography Open Database

Information card for entry 4107490

Preview

Coordinates	4107490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H53 F3 O10 P2 Pd
Calculated formula	C28 H16 F3 O10 P2 Pd
Title of publication	Palladium-Catalyzed Dehydrogenative Cis Double Phosphorylation of Alkynes with H-Phosphonate Leading to (Z)-Bisphosphoryl-1-alkenes
Authors of publication	Li-Biao Han; Yutaka Ono; Shigeru Shimada
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2752 - 2753
a	27.2026 ± 0.0012 Å
b	11.6441 ± 0.0005 Å
c	22.7334 ± 0.001 Å
α	90°
β	100.305 ± 0.001°
γ	90°
Cell volume	7084.6 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4107490.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107490.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107490.cif
55174	2012-05-03	cif/ Adding structures of 4107490 via cif-deposit CGI script.	4107490.cif